Glycoside
GD007234
Name:
NoneFormula:
C19H19O7N3Smiles:
O=C(N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1nc(-c2ccc3ccccc3c2)no1Aglycone:
NC(=O)c1nc(-c2ccc3ccccc3c2)no1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 401.38 | Num_heavy_atoms: | 29 |
| TPSA: | 158.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD05905
Formula: C13H9O2N3
Smiles:
NC(=O)c1nc(-c2ccc3ccccc3c2)no1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.23 | Num_heavy_atoms: | 18 |
| TPSA: | 82.01 | NumAromaticRings: | 3 |
