Glycoside
GD082462
Name:
NoneFormula:
C19H25O6N4Smiles:
O=C(C(=O)N(c1ncnc2ccccc12)C1CC[NH2+]CC1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
c1ccc2c(NC3CC[NH2+]CC3)ncnc2c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 405.43 | Num_heavy_atoms: | 29 |
| TPSA: | 160.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD37053
Formula: C13H17N4
Smiles:
c1ccc2c(NC3CC[NH2+]CC3)ncnc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 229.31 | Num_heavy_atoms: | 17 |
| TPSA: | 54.42 | NumAromaticRings: | 2 |
