Try beta.chemspider
- Charge
- 26 of 30 defined stereocentres
Sodium (5xi,9beta,13xi,17xi)-16,18-dioxo-18,20-epoxylanosta-7,25-dien-3-yl 3-O-methyl-beta-D-glucopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl-(1->2 )-4-O-sulfonato-beta-D-xylopyranoside
CC(=C)CCC[C@]1(C2C(=O)C[C@@]3(C2(CC[C@@H]4C3=CCC5[C@@]4(CCC(C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)OS(=O)(=O)[O-])O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)OC)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)C)C(=O)O1)C)C.[Na+]
InChI=1S/C58H90O29S.Na/c1-24(2)10-9-15-57(7)47-27(61)18-56(6)26-11-12-33-54(3,4)34(14-16-55(33,5)25(26)13-17-58(47,56)53(71)86-57)81-51-45(37(66)32(23-78-51)87-88(72,73)74)85-52-46(84-48-38(67)35(64)28(62)21-76-48)39(68)43(31(20-60)80-52)83-49-40(69)42(29(63)22-77-49)82-50-41(70)44(75-8)36(65)30(19-59)79-50;/h11,25,28-52,59-60,62-70H,1,9-10,12-23H2,2-8H3,(H,72,73,74);/q;+1/p-1/t25-,28-,29-,30-,31-,32-,33?,34?,35+,36-,37+,38-,39+,40-,41-,42+,43-,44+,45-,46-,47?,48+,49+,50+,51+,52+,55-,56+,57+,58?;/m1./s1
XDTNSYMJJNGRNE-FNVVUNCFSA-M
CSID:40256923, http://www.chemspider.com/Chemical-Structure.40256923.html (accessed 07:27, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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