Glycoside
GD054841
Name:
NoneFormula:
C13H15O6N3SSmiles:
Cc1cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ncnc2s1Aglycone:
Cc1cc2c(N)ncnc2s1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 341.35 | Num_heavy_atoms: | 23 |
| TPSA: | 152.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD27911
Formula: C7H7N3S
Smiles:
Cc1cc2c(N)ncnc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.22 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
