Glycoside
GD055554
Name:
NoneFormula:
C15H17O6N3Smiles:
Cc1cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cccc2nn1Aglycone:
Cc1cc2c(N)cccc2nn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 335.32 | Num_heavy_atoms: | 24 |
| TPSA: | 152.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD28068
Formula: C9H9N3
Smiles:
Cc1cc2c(N)cccc2nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 159.19 | Num_heavy_atoms: | 12 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
