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- 28 of 28 defined stereocentres
6-Deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-[(3beta)-3-(beta-D-glucopyranuronosyloxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@H]6[C@@](C)(CC[C@@H]7[C@]6(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C7(C)C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI=1S/C54H86O23/c1-22-30(56)32(58)37(63)45(71-22)75-41-25(20-55)72-44(40(66)36(41)62)70-21-26-31(57)33(59)38(64)46(73-26)77-48(69)54-17-15-49(2,3)19-24(54)23-9-10-28-51(6)13-12-29(74-47-39(65)34(60)35(61)42(76-47)43(67)68)50(4,5)27(51)11-14-53(28,8)52(23,7)16-18-54/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41+,42-,44+,45-,46-,47+,51-,52+,53+,54-/m0/s1
RJWVNQDEFVAPCR-UAOABQJCSA-N
CSID:129309289, http://www.chemspider.com/Chemical-Structure.129309289.html (accessed 14:26, Jun 16, 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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