Try beta.chemspider
- 26 of 28 defined stereocentres
1-O-[(3beta,5xi,9xi)-3-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-29-hydroxy-28-oxoolean-12-en-28-yl]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose
CC1(C)C2CC[C@]3(C)C(CC=C4[C@@H]5C[C@@](C)(CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CO)[C@@]2(C)CC[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-50(5)29(48(31,2)3)10-13-52(7)30(50)9-8-24-25-18-49(4,22-55)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29?,30?,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,49+,50-,51+,52+,53-/m0/s1
KDGYEAWBQIDEFT-XOMQLQRTSA-N
CSID:90615878, http://www.chemspider.com/Chemical-Structure.90615878.html (accessed 18:37, Jun 15, 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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