Try beta.chemspider
- 26 of 26 defined stereocentres
(3alpha,5alpha,8alpha,9beta,10alpha,13alpha,14alpha,16alpha,17alpha)-3-{[beta-L-Glucopyranosyl-(1->4)-3-O-acetyl-2,6-dideoxy-beta-L-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-L-ribo-hexopyranosyl-(1-> 4)-2,6-dideoxy-beta-L-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide
CC(=O)O[C@@H]1C[C@H](O[C@@H](C)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O[C@@H]1[C@H](O)C[C@@H](O[C@@H]2[C@H](O)C[C@@H](O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@@]6(C)[C@@H]([C@H](O)C[C@@]6(O)[C@H]5CC[C@H]4C3)C3COC(=O)C=3)O[C@H]2C)O[C@H]1C
InChI=1S/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28+,29-,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m0/s1
XVAPNQFQPDAROQ-RZAQQZFNSA-N
CSID:110092796, http://www.chemspider.com/Chemical-Structure.110092796.html (accessed 07:30, Jun 3, 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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