Try beta.chemspider
- 23 of 26 defined stereocentres
1-O-[(3alpha,5xi,9xi,16alpha,18xi)-3-({3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-4-O-(beta-D-xylopyranosyl)-beta-D-glucopyranuronosyl}oxy)-16-hydroxy-28-oxoolean-12-en-28-yl ]-beta-D-glucopyranose
C[C@]12CC[C@H](C(C1CC[C@@]3(C2CC=C4[C@]3(C[C@H]([C@@]5(C4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@](CO9)(CO)O)O)O
InChI=1S/C52H82O23/c1-46(2)14-15-52(45(66)75-42-34(61)32(59)31(58)25(18-53)70-42)23(16-46)22-8-9-27-48(5)12-11-29(47(3,4)26(48)10-13-49(27,6)50(22,7)17-28(52)56)71-43-35(62)36(72-44-39(63)51(67,20-54)21-69-44)37(38(74-43)40(64)65)73-41-33(60)30(57)24(55)19-68-41/h8,23-39,41-44,53-63,67H,9-21H2,1-7H3,(H,64,65)/t23?,24-,25-,26?,27?,28-,29-,30+,31-,32+,33-,34-,35-,36-,37+,38+,39+,41+,42+,43-,44+,48+,49-,50-,51-,52-/m1/s1
ODRFGSPTMBKUAY-KDUIZRCMSA-N
CSID:22912840, http://www.chemspider.com/Chemical-Structure.22912840.html (accessed 14:54, Apr 26, 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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