Try beta.chemspider
- 28 of 28 defined stereocentres
1-O-[(3alpha,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha)-3-{[beta-L-Glucopyranosyl-(1->2)-[beta-L-glucopyranosyl-(1->3)]-beta-L-glucopyranosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-L-glucopyranose
C[C@]12CC[C@@]3(CCC(C)(C)C[C@@H]3C1=CC[C@@H]1[C@]2(C)CC[C@H]2[C@@]1(C)CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2(C)C)C(=O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,47-,51-,52+,53+,54-/m1/s1
MROYUZKXUGPCPD-HSRZKTMCSA-N
CSID:82964450, http://www.chemspider.com/Chemical-Structure.82964450.html (accessed 17:22, Jun 17, 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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