Glycoside
GD081407
Name:
NoneFormula:
C21H25O6N3Smiles:
Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]21Aglycone:
Cn1nc(-c2ccccc2)c2c1CC1CNCC21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.45 | Num_heavy_atoms: | 30 |
| TPSA: | 136.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD36669
Formula: C15H17N3
Smiles:
Cn1nc(-c2ccccc2)c2c1CC1CNCC21| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 239.32 | Num_heavy_atoms: | 18 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
