- 26 of 32 defined stereocentres
beta-D-Glucopyranosyl-(1->4)-6-deoxy-L-mannopyranosyl-(1->2)-1-O-[(3beta,5xi,9xi,18xi)-3-{[6-deoxy-4-O-(beta-D-xylopyranosyl)-L-mannopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-alpha-L-lyxopyra nose
C[C@H]1[C@@H]([C@H]([C@H](C(O1)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]4(C3CC=C5[C@]4(CC([C@@]6(C5CC(CC6)(C)C)C(=O)O[C@H]7[C@@H]([C@@H]([C@H](CO7)O)O)OC8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)C)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
InChI=1S/C58H94O25/c1-23-44(80-47-40(69)34(63)27(60)21-74-47)38(67)42(71)48(76-23)79-33-13-14-55(7)30(54(33,5)6)12-15-56(8)31(55)11-10-25-26-18-53(3,4)16-17-58(26,32(62)19-57(25,56)9)52(73)83-51-46(35(64)28(61)22-75-51)82-49-43(72)39(68)45(24(2)77-49)81-50-41(70)37(66)36(65)29(20-59)78-50/h10,23-24,26-51,59-72H,11-22H2,1-9H3/t23-,24-,26?,27+,28-,29+,30?,31?,32?,33-,34-,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47-,48?,49?,50-,51-,55-,56+,57+,58+/m0/s1
PLKRAHMPROXVOQ-WCGDQBFLSA-N
CSID:5140828, http://www.chemspider.com/Chemical-Structure.5140828.html (accessed 18:30, 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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