Glycoside
GD012222
Name:
NoneFormula:
C29H24O7N2Cl2Smiles:
O=C(Nc1ccc2c(ccn2-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(Cl)c2)c1)c1ccc(Cl)cc1Aglycone:
O=C(Nc1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1)c1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 559.4 | Num_heavy_atoms: | 38 |
| TPSA: | 133.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD09229
Formula: C23H14O2N2Cl2
Smiles:
O=C(Nc1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1)c1ccc(Cl)cc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 397.26 | Num_heavy_atoms: | 27 |
| TPSA: | 54.26 | NumAromaticRings: | 4 |
