RUSCOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H80O23
Molecular Weight	1049.1564
Optical Activity	UNSPECIFIED
Defined Stereocenters	30 / 30
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)C[C@@H](O[C@]6([H])OC[C@H](O)[C@H](O)[C@H]6O[C@]7([H])O[C@@H](C)[C@H](O)[C@@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@](O)(CCC(=C)CO[C@]9([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)O2

InChI

InChIKey=JWGLJRXUTIFBHW-MTRMYNQZSA-N

InChI=1S/C50H80O23/c1-19(17-65-44-39(61)37(59)35(57)29(15-51)68-44)8-11-50(64)20(2)32-28(73-50)14-26-24-7-6-22-12-23(53)13-31(49(22,5)25(24)9-10-48(26,32)4)70-47-43(34(56)27(54)18-66-47)72-46-41(63)42(33(55)21(3)67-46)71-45-40(62)38(60)36(58)30(16-52)69-45/h6,20-21,23-47,51-64H,1,7-18H2,2-5H3/t20-,21-,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C50H80O23
Molecular Weight	1049.1564
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	29 / 30
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:27:35 GMT 2023` Edited by `admin` on `Sat Dec 16 10:27:35 GMT 2023`
Record UNII	021905L4DJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUSCOSIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, (1.BETA.,3.BETA.)-1-((O-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-.ALPHA.-L-ARABINOPYRANOSYL)OXY)-3,22-DIHYDROXYFUROSTA-5,25(27)-DIEN-26-YL

Systematic Name

English

Ruscoside [WHO-DD]

Common Name

English

J1.465.421F

Code

English

Code System Code Type Description

EPA CompTox

DTXSID70331656