- 26 of 26 defined stereocentres
1-O-[(13alpha)-13-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-beta-D-glucopyranose
C=C1C[C@@]23CC[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)[C@H]3CC[C@@]1(C2)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](CO)O7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@@H](CO)O8)O)O)O C[C@]12CCC[C@]([C@@H]1CC[C@@]34[C@@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-33(58)30(55)26(51)20(14-47)62-38)23(43)6-10-44(17,16-43)67-39-35(65-37-32(57)29(54)25(50)19(13-46)61-37)34(27(52)21(15-48)63-39)64-36-31(56)28(53)24(49)18(12-45)60-36/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,41+,42+,43+,44+/m1/s1
HELXLJCILKEWJH-PEFCZGMUSA-N
CSID:58802299, http://www.chemspider.com/Chemical-Structure.58802299.html (accessed 10:07, Mar 29, 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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