Glycoside
GD035105
Name:
NoneFormula:
C37H46O9N4Cl2SSmiles:
O=C(O)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(CC(=O)O)C(=O)CCCCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 17 |
| MolWt: | 769.74 | Num_heavy_atoms: | 51 |
| TPSA: | 185.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD22232
Formula: C32H36O4N4Cl2S
Smiles:
CN(CC(=O)O)C(=O)CCCCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 619.62 | Num_heavy_atoms: | 41 |
| TPSA: | 84.4 | NumAromaticRings: | 2 |
