- 17 of 20 defined stereocentres
1-O-[(2beta,3beta,5xi,9xi,18xi)-3-(beta-D-Glucopyranuronosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
C[C@]1(CC2[C@@](CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@]5(CO)C)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)C(=O)O)O)C)C)C)(CC1)C(=O)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)C
InChI=1S/C42H66O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20?,21-,22+,23?,24?,25+,26-,27-,28-,29+,30+,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1
YQDXYGOKFNYKCJ-FIXUWSFMSA-N
CSID:21615442, http://www.chemspider.com/Chemical-Structure.21615442.html (accessed 01:03, Apr 20, 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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