Glycoside
GD001941
Name:
NoneFormula:
C34H42O7N4Cl2SSmiles:
CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)CCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClAglycone:
CN(C)C(=O)CCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 13 |
| MolWt: | 697.68 | Num_heavy_atoms: | 46 |
| TPSA: | 148.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD01890
Formula: C29H32O2N4Cl2S
Smiles:
CN(C)C(=O)CCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl| HBA: | 6 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 547.55 | Num_heavy_atoms: | 36 |
| TPSA: | 47.1 | NumAromaticRings: | 2 |
