Glycoside
GD036094
Name:
NoneFormula:
C36H40O9N4Cl2SSmiles:
O=C(NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)o1Aglycone:
CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)o1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 751.69 | Num_heavy_atoms: | 50 |
| TPSA: | 179.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD22799
Formula: C31H30O4N4Cl2S
Smiles:
CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)o1| HBA: | 8 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 601.56 | Num_heavy_atoms: | 40 |
| TPSA: | 78.26 | NumAromaticRings: | 3 |
