- 27 of 27 defined stereocentres
beta-D-Xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta)-2,3,23-trihydroxy-23,28-dioxoolean-12-en-28-yl ]-beta-D-glucopyranose
O=C(O)[C@]1(C)[C@@H](O)[C@@H](O)C[C@@]9(C)[C@H]1CC[C@]8(C)[C@@H]9C/C=C7/[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]4O)CC[C@]78C
InChI=1S/C52H82O23/c1-22-35(72-40-33(60)30(57)26(56)19-68-40)36(73-43-39(63)52(67,20-54)21-69-43)34(61)41(70-22)74-37-32(59)31(58)27(18-53)71-42(37)75-45(66)51-14-12-46(2,3)16-24(51)23-8-9-28-47(4)17-25(55)38(62)50(7,44(64)65)29(47)10-11-49(28,6)48(23,5)13-15-51/h8,22,24-43,53-63,67H,9-21H2,1-7H3,(H,64,65)/t22-,24-,25-,26+,27+,28+,29+,30-,31+,32-,33+,34+,35-,36-,37+,38-,39-,40-,41-,42-,43-,47+,48+,49+,50-,51-,52+/m0/s1
VUUYDQJIFSHBPY-PYJSDDRSSA-N
CSID:9882647, http://www.chemspider.com/Chemical-Structure.9882647.html (accessed 08:03, Mar 28, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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