AG00IKM7

604-80-8 | 4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-

AG00IKM7

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CAS Number	604-80-8
Catalog Number	AG00IKM7(AGN-PC-0SWAHH)
Chemical Name	4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
IUPAC Name	5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(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/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1
InChI Key	UIDGLYUNOUKLBM-GEBJFKNCSA-N
MDL Number	MFCD00017734
Molecular Formula	C28H32O16
Molecular Weight	624.5441
SMILES	O=C1C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)=C(C4=CC=C(O)C(OC)=C4)OC5=C1C(O)=CC(O)=C5
UNII	N4AX11L1TF
Synonyms	narcissin, narcissin flavonol, Narcissoside, 604-80-8, Narcissin, Narcissin Flavonol, Isorhamnetin 3-rutinoside, Isorhamnetin 3-O-rutinoside, Isorhamnetin-3-O-rutinoside, UNII-N4AX11L1TF, Isorhamnetin 3-rhamnoglucoside, Isprhamnetin-3-rutinoside, N4AX11L1TF, Narcissin (6CI,7CI,8CI), 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, 4H-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(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, AC1NUKZ0, CHEMBL258394, SCHEMBL7167500, DTXSID00209157, KS-00000GG6, ZINC4349406, BDBM50379284, MFCD00017734, AKOS030632878, LS-39514, AB0035751, FT-0632510, N2387, Y0140, C-57861, 4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[(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, 5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy]-1-benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-((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, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, C28H32O16, Isorhamnetin-3-O-beta-D-rutinoside, ACN-047140, CID5481663, C28-H32-O16, Narcissoside, 98%, from Hedyotis chrysotricha - 5MG 5mg,

Complexity	1040
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	624.169g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	9
Isotope Atom Count	0
Molecular Weight	624.548g/mol
Monoisotopic Mass	624.169g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	255A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

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