Glycoside
GD070902
Name:
NoneFormula:
C16H25O6N6Smiles:
O=c1[nH]cnc2c1nc(N1CC[NH+](CCO)CC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=c1[nH]cnc2c1N=C(N1CC[NH+](CCO)CC1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 397.41 | Num_heavy_atoms: | 28 |
| TPSA: | 161.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD33529
Formula: C11H16O2N6
Smiles:
O=c1[nH]cnc2c1N=C(N1CC[NH+](CCO)CC1)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.29 | Num_heavy_atoms: | 19 |
| TPSA: | 100.12 | NumAromaticRings: | 1 |
