VERBASCOSAPONIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H88O21
Molecular Weight	1073.2639
Optical Activity	UNSPECIFIED
Defined Stereocenters	30 / 30
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(C)(C)CC[C@@]13CO[C@@]24C=C[C@]5([H])[C@@]6(C)CC[C@H](O[C@]7([H])O[C@H](C)[C@H](O)[C@H](O[C@]8([H])O[C@H](CO)[C@@H](O[C@]9([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H]7O[C@]%10([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@](C)(CO)[C@]6([H])CC[C@@]5(C)[C@]4(C)CC3

InChI

InChIKey=FFKHYLGULXFXII-IVWPYUJTSA-N

InChI=1S/C54H88O21/c1-24-32(58)35(61)38(64)44(68-24)73-41-27(21-56)71-46(40(66)37(41)63)74-42-33(59)25(2)69-47(43(42)75-45-39(65)36(62)34(60)26(20-55)70-45)72-31-11-12-49(5)28(50(31,6)22-57)9-13-51(7)29(49)10-14-54-30-19-48(3,4)15-17-53(30,23-67-54)18-16-52(51,54)8/h10,14,24-47,55-66H,9,11-13,15-23H2,1-8H3/t24-,25+,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42-,43+,44-,45-,46-,47-,49-,50-,51+,52-,53+,54-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C54H88O21
Molecular Weight	1073.2639
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:59:12 GMT 2023` Edited by `admin` on `Sat Dec 16 18:59:12 GMT 2023`
Record UNII	PQ38DB9VK2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VERBASCOSAPONIN

Common Name

English

ILWENSISAPONIN A

Common Name

English

MIMENGOSIDE A

Common Name

English

.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,4.ALPHA.)-13,28-EPOXY-23-HYDROXYOLEAN-11-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-6-DEOXY-

Systematic Name

English

Code System Code Type Description

PUBCHEM

101625627