Glycoside
GD082501
Name:
NoneFormula:
C18H27O7N4Smiles:
O=C(C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@H]12)c1ncccn1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
c1cnc(NCC2OCC3CC[NH2+]CC32)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 411.44 | Num_heavy_atoms: | 29 |
| TPSA: | 169.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD37064
Formula: C12H19ON4
Smiles:
c1cnc(NCC2OCC3CC[NH2+]CC32)nc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 235.31 | Num_heavy_atoms: | 17 |
| TPSA: | 63.65 | NumAromaticRings: | 1 |
