NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(25S)-5-beta-spirostan-3-beta-ol 3-O-beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranoside
NPACT-IdNPACT00014
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVHCSEECTBKMMOM-DTTLYTFVSA-N
InChi1S/C47H78O17/c1-22-6-13-47(60-18-22)23(2)34-29(64-47)14-27-25-8-10-44(3)15-24(7-12-46(44,5)26(25)9-11-45(27,34)4)61-43-42(59-21-33-38(54)39(55)36(52)30(16-48)62-33)40(56)41(31(17-49)63-43)58-20-32-37(53)35(51)28(50)19-57-32/h22-43,48-56H,6-21H2,1-5H3/t22-
SMILESC1C[C@@H](C[C@@]2([C@]1([C@@H]1[C@H](CC2)[C@@H]2C[C@H]3[C@@H]([C@]2(CC1)C)[C@@H]([C@]1(O3)CC[C@H](CO1)C)C)C)C)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC[C@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)O)OC[C@H]1OC[C@H]([C@H]([C@H]1O)O)O)CO
SMART[H][C@]12[C@H](C[C@H]3[C@H]4CC[C@]5([#6])C[C@H](CC[C@]5([#6])[C@H]4CC[C@]13[#6])O[C@H]1O[C@@H](CO)[C@H](OC[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]1OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)O[C@]1(CC[C@@H]([#6])CO1)[C@H]2[#6]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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