SCILLIGLAUCOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H40O10
Molecular Weight	560.6326
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@]5(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=CCC[C@]35C=O)[C@@]1(O)CC[C@@H]2C6=COC(=O)C=C6

InChI

InChIKey=QDBIBEXZLJNVNH-TVVIPLERSA-N

InChI=1S/C30H40O10/c1-27-11-6-19-20(30(27,37)13-8-18(27)17-4-5-22(33)38-15-17)7-12-29(10-3-2-9-28(19,29)16-32)40-26-25(36)24(35)23(34)21(14-31)39-26/h3-5,10,15-16,18-21,23-26,31,34-37H,2,6-9,11-14H2,1H3/t18-,19+,20-,21-,23-,24+,25-,26+,27-,28+,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H40O10
Molecular Weight	560.6326
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:52:54 GMT 2025` Edited by `admin` on `Mon Mar 31 22:52:54 GMT 2025`
Record UNII	0AD04KS0VY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCILLIGLAUCOSIDE

Common Name

English

SCILLAREN F

Preferred Name

English

BUFA-3,20,22-TRIENOLIDE, 5-(.BETA.-D-GLUCOPYRANOSYLOXY)-14-HYDROXY-19-OXO-, (5.BETA.)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30965279