Glycoside
GD057985
Name:
NoneFormula:
C15H25O5N4Smiles:
OC[C@H]1O[C@H](O)[C@H]([NH2+]C2CCN(c3ncccn3)CC2)[C@@H](O)[C@@H]1OAglycone:
[NH3+]C1CCN(c2ncccn2)CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 341.39 | Num_heavy_atoms: | 24 |
| TPSA: | 135.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD29081
Formula: C9H15N4
Smiles:
[NH3+]C1CCN(c2ncccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.25 | Num_heavy_atoms: | 13 |
| TPSA: | 56.66 | NumAromaticRings: | 1 |
