Glycoside
GD048429
Name:
NoneFormula:
C12H14O6N3ClSmiles:
O=C(NCc1cnc(Cl)cn1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NCc1cnc(Cl)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 319.7 | Num_heavy_atoms: | 21 |
| TPSA: | 152.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD25887
Formula: C6H6N3Cl
Smiles:
NCc1cnc(Cl)cn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 143.58 | Num_heavy_atoms: | 9 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
