Glycoside
GD086277
Name:
NoneFormula:
C17H28O6N7Smiles:
Nc1nc2c(nc(NCCC[NH+]3CCOCC3)n2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(NCCC[NH+]1CCOCC1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -3.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.45 | Num_heavy_atoms: | 30 |
| TPSA: | 185.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD38276
Formula: C12H19O2N7
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(NCCC[NH+]1CCOCC1)[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 293.33 | Num_heavy_atoms: | 21 |
| TPSA: | 123.93 | NumAromaticRings: | 1 |
