Glycoside
GD061448
Name:
NoneFormula:
C16H26O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cc(N3CCCCC3)cc[nH+]2)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(N2CCCCC2)cc[nH+]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 340.4 | Num_heavy_atoms: | 24 |
| TPSA: | 119.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD30138
Formula: C10H16N3
Smiles:
Nc1cc(N2CCCCC2)cc[nH+]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.26 | Num_heavy_atoms: | 13 |
| TPSA: | 43.4 | NumAromaticRings: | 1 |
