Glycoside
GD055050
Name:
NoneFormula:
C13H20O6N4Smiles:
O=C(C(=O)N1CCC(n2cnnc2)CC1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1nncn1C1CCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 328.33 | Num_heavy_atoms: | 23 |
| TPSA: | 149.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD27949
Formula: C7H12N4
Smiles:
c1nncn1C1CCNCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.2 | Num_heavy_atoms: | 11 |
| TPSA: | 42.74 | NumAromaticRings: | 1 |
