Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

192103 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C76H109Cl2NO38
InChI
InChI=1S/C76H109Cl2NO38/c1-30-21-37(80)22-38(81)46(30)66(83)106-42-28-100-76(64-56(42)98-29-99-64)114-43-27-97-68(59(92-16)55(43)115-76)112-69-60(93-17)58(91-15)54(41(107-69)26-87-11)110-71-74(10,96-20)63(53(89-13)33(4)104-71)111-70-65(95-19)73(9)62(36(7)103-70)116-75(117-73)24-40(88-12)52(34(5)113-75)108-44-23-39(105-45-25-72(8,79(85)86)61(94-18)35(6)102-45)51(32(3)101-44)109-67(84)47-31(2)48(77)50(82)49(78)57(47)90-14/h21-22,32-36,39-45,51-56,58-65,68-71,80-82H,23-29H2,1-20H3/t32-,33-,34-,35+,36-,39-,40-,41-,42-,43+,44+,45+,51-,52-,53+,54?,55-,56+,58+,59-,60+,61+,62-,63?,64-,65-,68+,69+,70+,71+,72+,73+,74-,75-,76-/m1/s1
Smiles
COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2OC)[C@@H](OC)[C@@H](OC)C1O[C@@H]1O[C@H](C)[C@H](OC)C(O[C@@H]2O[C@H](C)[C@H]3O[C@]4(C[C@@H](OC)[C@H](O[C@H]5C[C@@H](O[C@H]6C[C@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O6)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@]3(C)[C@@H]2OC)[C@@]1(C)OC
Cross References
UniChem364397
canSAR192103
ChEMBLCHEMBL439308
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 1713.6004634084.92274339226No


Compounds with the same scaffold


Image of compound ID: 192103
Murko Scaffold Family: 36 compoundsClick here to open a new canSAR search with these compounds

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