Try beta.chemspider
- 26 of 28 defined stereocentres
1-O-[(3beta,5xi,9xi)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)]-beta-D-xylopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4CC[C@]5(C([C@]4(C)CO)CC[C@@]6(C5CC=C7[C@]6(CC[C@@]8([C@H]7CC(CC8)(C)C)C(=O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)O)O)O
InChI=1S/C53H86O22/c1-23-32(57)35(60)38(63)44(69-23)72-28-21-68-43(41(66)42(28)74-45-39(64)36(61)33(58)26(19-54)70-45)73-31-11-12-49(4)29(50(31,5)22-56)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-46-40(65)37(62)34(59)27(20-55)71-46/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26+,27+,28+,29?,30?,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1
ATUHGDXZHWBGHX-SXFANQPWSA-N
CSID:23551058, http://www.chemspider.com/Chemical-Structure.23551058.html (accessed 21:24, Jun 15, 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
Advertisement
Spotlight