MADECASSOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H78O20
Molecular Weight	975.1209
Optical Activity	UNSPECIFIED
Defined Stereocenters	28 / 28
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]5([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]25C)C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O

InChI

InChIKey=BNMGUJRJUUDLHW-HCZMHFOYSA-N

InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42+,44-,45+,46-,47-,48+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C48H78O20
Molecular Weight	975.1209
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	28 / 28
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:33:10 UTC 2023` Edited by `admin` on `Fri Dec 15 20:33:10 UTC 2023`
Record UNII	CQ2F5O6YIY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MADECASSOSIDE

Official Name

English

Madecassoside [WHO-DD]

Common Name

English

Urs-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (2α,3β,4α,6β)-

Systematic Name

English

MADECASSOSIDE (CONSTITUENT OF CENTELLA ASIATICA) [DSC]

Common Name

English

ASIATICOSIDE A

Common Name

English

MADECASSOSIDE [INCI]

Common Name

English

REDERMIC

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

252-076-1