AG009B3N

135293-13-9 | 2'-O-rhamnosylicariside Ⅱ

AG009B3N

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CAS Number	135293-13-9
Catalog Number	AG009B3N(AGN-PC-0PKKDY)
Chemical Name	2'-O-rhamnosylicariside Ⅱ
IUPAC Name	3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
InChI	InChI=1S/C33H40O14/c1-13(2)6-11-18-19(34)12-20(35)21-24(38)30(28(45-29(18)21)16-7-9-17(42-5)10-8-16)46-33-31(26(40)23(37)15(4)44-33)47-32-27(41)25(39)22(36)14(3)43-32/h6-10,12,14-15,22-23,25-27,31-37,39-41H,11H2,1-5H3/t14-,15-,22-,23-,25+,26+,27+,31+,32-,33-/m0/s1
InChI Key	TVBJKPLTBPGHDJ-ZJTKNEERSA-N
MDL Number	MFCD04039816
Molecular Formula	C33H40O14
Molecular Weight	660.6623
SMILES	O[C@H]1[C@H]([C@@H](O[C@H]([C@@H]1O)C)OC1=C(OC2=C(C(=CC(=C2C1=O)O)O)CC=C(C)C)C1=CC=C(C=C1)OC)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C
Synonyms	2''-O-Rhamnosylicariside II, 135293-13-9, 2''-O-Rhamnosyl icariside II, 2'-O-RHAMNOSYLICARISIDE II, HY-N2289, ZINC238758694, CS-0019617, 2"-O-rhamnosyl icariside II, ACN-047341,

Complexity	1150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	660.242g/mol
Formal Charge	0
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	660.669g/mol
Monoisotopic Mass	660.242g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	214A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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