Try beta.chemspider
- 22 of 34 defined stereocentres
6-Deoxy-2-O-{6-deoxy-3-O-[(2S,3R,4R)-3-(beta-D-glucopyranosyloxy)-4-hydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-altropyranosyl}-1-O-[3-(beta-D-glucopyranuronosyloxy)-2,22,23-trihydroxy-23,2 8-dioxoolean-12-en-28-yl]-beta-D-glucopyranose
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C23CCC4(C(=CCC5C4(CCC6C5(CC(C(C6(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O)C)C)C2CC(CC3O)(C)C)C)O[C@H]8[C@@H](C([C@H]([C@@H](O8)C)O)O[C@H]9[C@@H]([C@](CO9)(CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
InChI=1S/C59H92O30/c1-21-30(64)35(69)42(86-48-39(73)40(31(65)22(2)81-48)84-50-44(58(79,19-61)20-80-50)88-46-37(71)33(67)32(66)26(18-60)83-46)49(82-21)89-52(78)59-14-13-55(6)23(24(59)15-53(3,4)17-29(59)63)9-10-27-54(5)16-25(62)43(57(8,51(76)77)28(54)11-12-56(27,55)7)87-47-38(72)34(68)36(70)41(85-47)45(74)75/h9,21-22,24-44,46-50,60-73,79H,10-20H2,1-8H3,(H,74,75)(H,76,77)/t21-,22+,24?,25?,26-,27?,28?,29?,30-,31+,32-,33+,34+,35+,36+,37-,38-,39-,40?,41+,42-,43?,44+,46+,47+,48+,49+,50+,54?,55?,56?,57?,58-,59?/m1/s1
GYDFFKXZDJBBTA-QRORRGDZSA-N
CSID:29814838, http://www.chemspider.com/Chemical-Structure.29814838.html (accessed 00:35, Apr 27, 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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