Glycoside
GD000622
Name:
NoneFormula:
C19H20O6N4Smiles:
O=C(N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1nnc(-c2ccc3ccccc3c2)[nH]1Aglycone:
NC(=O)c1nnc(-c2ccc3ccccc3c2)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.39 | Num_heavy_atoms: | 29 |
| TPSA: | 160.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD00679
Formula: C13H10ON4
Smiles:
NC(=O)c1nnc(-c2ccc3ccccc3c2)[nH]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.25 | Num_heavy_atoms: | 18 |
| TPSA: | 84.66 | NumAromaticRings: | 3 |
