82986 logo
SB-T-1213
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • SB-T-1213
SMILES
CCC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O
InChI
InChI=1S/C44H59NO15/c1-12-30(48)57-33-31-23(4)27(56-38(52)32(49)26(18-22(2)3)45-39(53)60-40(6,7)8)20-44(54,41(31,9)10)36(58-37(51)25-16-14-13-15-17-25)34-42(11,35(33)50)28(47)19-29-43(34,21-55-29)59-24(5)46/h13-18,26-29,32-34,36,47,49,54H,12,19-21H2,1-11H3,(H,45,53)/t26-,27-,28-,29+,32+,33+,34?,36-,42+,43-,44+/m0/s1
MOLECULAR FORMULA
C44H59NO15
CROSS REFERENCES
82986 logo

SB-T-1213

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 841.39
AlogP 3.81
HBond donors 4
HBond acceptors 16
Atoms 119
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by SB-T-1213.