F-GITONIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H82O23
Molecular Weight	1051.1723
Optical Activity	UNSPECIFIED
Defined Stereocenters	32 / 32
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O[C@]6([H])O[C@H](CO)[C@H](O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]8([H])OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@]9([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]%10(CC[C@@H](C)CO%10)O2

InChI

InChIKey=AULWDENWMBJIIQ-KHXIKGBRSA-N

InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22-,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-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C50H82O23
Molecular Weight	1051.1723
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	31 / 32
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:12:14 UTC 2023` Edited by `admin` on `Sat Dec 16 08:12:14 UTC 2023`
Record UNII	97MUO7997G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

F-GITONIN

Common Name

English

GITOGENIN .BETA.-LYCOTETRAOSIDE

Common Name

English

F-GITONIN [MI]

Common Name

English

.BETA.-D-GALACTOPYRANOSIDE, (2.ALPHA.,3.BETA.,5.ALPHA.,25R)-2-HYDROXYSPIROSTAN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-XYLOPYRANOSYL-(1->3))-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-

Systematic Name

English

F-GITONIN, (-)-

Common Name

English

GITOGENIN 3-O-.BETA.-LYCOTETRAOSIDE

Common Name

English

Code System Code Type Description

MERCK INDEX

m5737