AG00IKGP

520-27-4 | 4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-

AG00IKGP

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CAS Number	520-27-4
Catalog Number	AG00IKGP(AGN-PC-0SBYXS)
Chemical Name	4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
EC Number	208-289-7
IUPAC Name	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
InChI	InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChI Key	GZSOSUNBTXMUFQ-YFAPSIMESA-N
MDL Number	MFCD00009772
Molecular Formula	C28H32O15
Molecular Weight	608.5447
SMILES	O=C1C=C(C2=CC=C(OC)C(O)=C2)OC3=CC(O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]5[C@@H]([C@@H]([C@H]([C@H](C)O5)O)O)O)O4)O)O)O)=CC(O)=C13
UNII	7QM776WJ5N
Synonyms	Barosmin, Buchu Resin, Daflon, Diosmin, Resin, Buchu, Venosmine, diosmin, 520-27-4, Barosmin, Diosmine, Venosmine, Diosmil, Flebosten, Daflon, Diovenor, Tovene, Ven-Detrex, Diosimin, Veno-V, Diosminum, Rioven, Diosmetin 7-O-rutinoside, UNII-7QM776WJ5N, 7QM776WJ5N, CHEBI:4631, GZSOSUNBTXMUFQ-YFAPSIMESA-N, 3',5,7-Trihydroxy-4'-methoxyflavone 7-rutinoside, 3',5,7-trihydroxy-4'-methoxyflavone-7-rutinoside, C28H32O15, MFCD00009772, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, Diosmetin-7-O-rutinoside, Buchu Resin, Diosmin, analytical standard, DSSTox_CID_25892, DSSTox_RID_81206, DSSTox_GSID_45892, 3',5,7-Trihydroxy-4'-methoxyflavone-7-(6-O-(-deoxy-alpha-L-mannopyraonsyl)-beta-D-glucopyranoside, 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one, 3',5,7-trihydroxy-4'-methoxyflavone 7-rhamnoglucoside, Litosmil, CAS-520-27-4, Diosmin [INN:BAN], Diosmin [INN-Spanish], Diosmine [INN-French], Diosminum [INN-Latin], SR-01000799147, CCRIS 7915, H-chromen-4-one, NCGC00095022-01, 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, Diosmin (INN), EINECS 208-289-7, Daflon (TN), Diosmin (8), SE 4601, AC1NQYQD, PubChem13043, MLS001304032, SCHEMBL120870, CHEMBL231884, DTXSID4045892, 3',5-Dihydroxy-4'-methoxy-4-oxo-4H-chromen-7-ylrutosid, BDBM153267, HMS2233P16, HMS3713L08, ACT05288, ZINC4098512, Tox21_111392, 3',5-Dihydroxy-4'-methoxy-4-oxo-4H-chromen-7-ylrutosid [IUPAC], AN-873, CD0174, s2292, AKOS015969767, Tox21_111392_1, BCP9000612, CCG-208570, DB08995, MCULE-3603671410, MCULE-6096209142, KS-00000X68, SMP1_000183, NCGC00344564-01, 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-O-alpha-L-rhamnopyranosyl-beta-D-glycopyranosyl)oxy)-4-chromenon, AS-13224, BP-12422, CC-27082, H654, SC-17745, SMR000718616, BCP0726000067, AB0006700, LS-193056, FT-0603441, C10039, D07858, J10091, 520D274, C-23334, 3',5,7-trihydroxy-4'-methoxy flavone-7-rutinoside, SR-01000799147-4, SR-01000799147-5, SR-01000799147-6, Diosmin, European Pharmacopoeia (EP) Reference Standard, Diosmin, United States Pharmacopeia (USP) Reference Standard, Diosmin for system suitability, European Pharmacopoeia (EP) Reference Standard, 4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(O6-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)chromen-4-one, 7-((6-O-(6-Deoxy-ga-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, flebosmil, Neodiosmin, Resin, Buchu, Diosmin [INN], Diosmin, 95% 5g, Diosmetin 7-neohesperidoside, Diosmin, 85% - 5G 5g, Diosmin, 98% - 25MG 25mg, ACN-034766, CID5281613, CS-O-01318, C28-H32-O15, D004145, 4h-1-benzopiran-4-ona, 7-[[6-o-(6-deoxi-?-l-mannopiranosil)-?-d-glucopiranosil]oxi]-5-hidroxi-2-(3-hidroxi-4-metoxifenil)-,

Complexity	995
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	608.174g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	608.549g/mol
Monoisotopic Mass	608.174g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	234A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number