- 32 of 32 defined stereocentres
(3beta,16beta)-16-({2-O-Acetyl-3-O-[2-O-(4-hydroxy-3-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranosyl}oxy)-17-hydroxy-22-oxocholest-5-en-3-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyr anosyl-(1->6)-beta-D-glucopyranoside
O[C@@H]%10[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]%10O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OC[C@H]9O[C@@H](O[C@@H]7C\C8=C\C[C@@H]6[C@H](CC[C@@]5(C)[C@H]6C[C@H](O[C@@H]4OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c2ccc(O)c(OC)c2)[C@H]4OC(C)=O)[C@]5(O)[C@H](C)C(=O)CCC(C)C)[C@@]8(C)CC7)[C@H](O)[C@@H](O)[C@@H]9O
InChI=1S/C65H98O31/c1-26(2)8-12-35(69)27(3)65(83)43(93-62-56(88-28(4)68)53(38(72)24-86-62)95-61-55(44(73)37(71)23-85-61)94-57(82)29-9-13-36(70)39(18-29)84-7)20-34-32-11-10-30-19-31(14-16-63(30,5)33(32)15-17-64(34,65)6)89-59-50(79)48(77)46(75)42(92-59)25-87-58-52(81)49(78)54(41(22-67)91-58)96-60-51(80)47(76)45(74)40(21-66)90-60/h9-10,13,18,26-27,31-34,37-38,40-56,58-62,66-67,70-81,83H,8,11-12,14-17,19-25H2,1-7H3/t27-,31+,32-,33+,34+,37-,38+,40-,41-,42-,43+,44+,45-,46-,47+,48+,49-,50-,51-,52-,53+,54-,55-,56-,58-,59-,60+,61+,62+,63+,64+,65-/m1/s1
VTQRKJZNWCOWBO-FQHYXFNJSA-N
CSID:9248428, http://www.chemspider.com/Chemical-Structure.9248428.html (accessed 10:13, Sep 27, 2023)
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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