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hederagenin 28-O-beta-D-glucopyranoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM55959

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₆H₅₈O₉

charge

mass

634.40808

reference

chebi:67947

InChIKey

WJMMBVSOQPALFO-DLQTVUGOSA-N

InChI

InChI=1S/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1

SMILES

CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67947 chebi:67947	hederagenin 28-O-beta-D-glucopyranoside 1-O-[3beta,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose hederagenin 28-O-beta-D-glucopyranosyl ester
seed.compound:cpd25705 seedM:cpd25705	28-Glc-hederagenin hederagenin-28-O-B-glucoside hederagenin-28-O-beta-D-glucoside hederagenin-28-O-beta-glucoside
metacyc.compound:CPD-9488 metacycM:CPD-9488	hederagenin-28-O-beta-D-glucoside 28-Glc-hederagenin hederagenin-28-O-B-glucoside
seedM:M_cpd25705	secondary/obsolete/fantasy identifier