- 31 of 33 defined stereocentres
3-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,5xi,6beta,9xi,16alpha)-3-(beta-D-glucopyranosyl oxy)-2,6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose
C[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@H]3OC[C@]([C@H]3O)(O)CO)O)O)O)O[C@H]4[C@@H](OC[C@@H]([C@@H]4O)O)OC(=O)[C@@]56[C@@H](C[C@]7([C@]8(C([C@@]9(C([C@@]([C@H]([C@H](C9)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(CO)C)[C@@H](C8)O)C)CC=C7[C@@H]5C[C@@](CC6)(C)C)C)C)O
InChI=1S/C57H92O28/c1-22-39(81-45-38(72)40(28(64)18-76-45)82-49-43(73)56(75,20-60)21-78-49)35(69)37(71)46(79-22)83-41-32(66)27(63)17-77-48(41)85-50(74)57-11-10-51(2,3)12-24(57)23-8-9-30-52(4)13-26(62)44(84-47-36(70)34(68)33(67)29(16-58)80-47)53(5,19-59)42(52)25(61)14-55(30,7)54(23,6)15-31(57)65/h8,22,24-49,58-73,75H,9-21H2,1-7H3/t22-,24-,25+,26-,27-,28+,29+,30?,31+,32-,33+,34-,35-,36+,37+,38+,39-,40-,41+,42?,43-,44-,45-,46-,47-,48-,49+,52+,53-,54+,55+,56+,57+/m0/s1
KGASGDAHIPOLIY-LLQCQRHPSA-N
CSID:22913878, http://www.chemspider.com/Chemical-Structure.22913878.html (accessed 17:27, Mar 28, 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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