Glycoside
GD030650
Name:
NoneFormula:
C36H46O7N4Cl2SSmiles:
CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClAglycone:
CN(C)C(=O)CCCCc1cc(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: | 0.59 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 15 |
| MolWt: | 725.74 | Num_heavy_atoms: | 48 |
| TPSA: | 148.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD19825
Formula: C31H36O2N4Cl2S
Smiles:
CN(C)C(=O)CCCCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl| HBA: | 6 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.52 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 575.61 | Num_heavy_atoms: | 38 |
| TPSA: | 47.1 | NumAromaticRings: | 2 |
