ASTRAGALOSIDE I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H72O16
Molecular Weight	869.0436
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1([C@@H](O)C[C@@]2(C)[C@]3([H])C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]5([H])[C@]6(C[C@@]36CC[C@]12C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](OC(C)=O)[C@H]7OC(C)=O)C5(C)C)[C@@]8(C)CC[C@H](O8)C(C)(C)O

InChI

InChIKey=KXHCYYSIAXMSPA-OOCCOBHWSA-N

InChI=1S/C45H72O16/c1-21(47)56-33-24(50)19-55-38(34(33)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-25(36(45)39(28,3)4)58-37-32(53)31(52)30(51)26(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,33-,34+,35-,36-,37+,38-,41+,42-,43+,44-,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H72O16
Molecular Weight	869.0436
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	21 / 21
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:20:06 UTC 2023` Edited by `admin` on `Sat Dec 16 11:20:06 UTC 2023`
Record UNII	24CT26I88H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ASTRAGALOSIDE I

Common Name

English

ASTRASIEVERSIANIN IV

Common Name

English

(3β,6α,16β,20R,24S)-3-[(2,3-Di-O-acetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl β-D-glucopyranoside

Systematic Name

English

ASTRAGALOSIDE I (CONSTITUENT OF ASTRAGALUS) [DSC]

Common Name

English

β-D-Glucopyranoside, (3β,6α,16β,20R,24S)-3-[(2,3-di-O-acetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90856139