Glycoside
GD031617
Name:
NoneFormula:
C21H20O4N4Smiles:
C[C@@H]1O[C@H](n2cc(-c3ccco3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=C(c2ccco2)c2c(ncnc2Nc2ccccc2)[N]1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.42 | Num_heavy_atoms: | 29 |
| TPSA: | 105.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD20353
Formula: C16H11ON4
Smiles:
C1=C(c2ccco2)c2c(ncnc2Nc2ccccc2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.29 | Num_heavy_atoms: | 21 |
| TPSA: | 65.05 | NumAromaticRings: | 3 |
