Glycoside
GD005509
Name:
NoneFormula:
C31H25O5N5Cl2Smiles:
O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2[nH]nc([C@H](O)[C@H](O)[C@H](O)CO)n12)C(=Cc1ccc(Cl)cc1)CCC3Aglycone:
O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2[nH]ncn12)C(=Cc1ccc(Cl)cc1)CCC3Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.45 | Num_heavy_atoms: | 41 |
| TPSA: | 156.86 | NumAromaticRings: | 5 |
Unique Aglycone
AD01011
Formula: C27H17ON5Cl2
Smiles:
O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2[nH]ncn12)C(=Cc1ccc(Cl)cc1)CCC3| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.35 | Num_heavy_atoms: | 33 |
| TPSA: | 75.94 | NumAromaticRings: | 5 |
