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-glucopyranoside
NPACT-IdNPACT00016
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMPXQMMPEVPJGOW-AKPOQCQISA-N
InChi1S/C41H68O13/c1-20-6-13-41(50-18-20)21(2)30-26(54-41)14-25-23-8-10-38(3)15-22(7-12-40(38,5)24(23)9-11-39(25,30)4)51-37-36(35(48)32(45)28(17-43)53-37)49-19-29-33(46)34(47)31(44)27(16-42)52-29/h20-37,42-48H,6-19H2,1-5H3/t20-,21+,22+,23+,24+,25+,26+,27-,28+,
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)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](O)[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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