Glycoside
GD012870
Name:
NoneFormula:
C24H28O5NClSmiles:
CNc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)CCC3)cc1Aglycone:
CNc1ccc(Cc2ccc3c(c2Cl)CCC3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.93 | Num_heavy_atoms: | 30 |
| TPSA: | 102.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD09665
Formula: C18H18NCl
Smiles:
CNc1ccc(Cc2ccc3c(c2Cl)CCC3)cc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 271.79 | Num_heavy_atoms: | 19 |
| TPSA: | 12.03 | NumAromaticRings: | 2 |
