CAS 20183-47-5 | Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, (2β,3β,4α)- | CAS Number 20183-47-5

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20183-47-5 | Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, (2β,3β,4α)-

CAS No: 20183-47-5 Catalog No: AG0027VA MDL No:MFCD20527302

Product Description

Catalog Number:

AG0027VA

Chemical Name:

Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, (2β,3β,4α)-

CAS Number:

20183-47-5

Molecular Formula:

C36H56O12

Molecular Weight:

680.8226

MDL Number:

MFCD20527302

IUPAC Name:

(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid

InChI:

InChI=1S/C36H56O12/c1-31(2)10-11-35(30(45)46)12-13-36(17-38)18(19(35)14-31)6-7-22-32(3)15-20(39)27(34(5,29(43)44)23(32)8-9-33(22,36)4)48-28-26(42)25(41)24(40)21(16-37)47-28/h6,19-28,37-42H,7-17H2,1-5H3,(H,43,44)(H,45,46)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34-,35-,36-/m0/s1

InChI Key:

DBJLNNAUDGIUAE-YGIRLYIESA-N

SMILES:

OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(CO)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O

Properties

Complexity:

1330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

680.377g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

680.832g/mol

Monoisotopic Mass:

680.377g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

214A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Anxiolytic and sedative-hypnotic activities of polygalasaponins from Polygala tenuifolia in mice.	Pharmaceutical biology 20100701
Tenuifolin, an extract derived from tenuigenin, inhibits amyloid-beta secretion in vitro.	Acta physiologica (Oxford, England) 20090801
Effects of tenuifolin extracted from radix polygalae on learning and memory: a behavioral and biochemical study on aged and amnesic mice.	Phytomedicine : international journal of phytotherapy and phytopharmacology 20080801
[Determination of tenuifolin in Tianwang Buxinwan and Guipiwan by HPLC].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20070801