Glycoside
GD015312
Name:
NoneFormula:
C15H19O4N3Smiles:
OC[C@@H]1O[C@H](CCn2cc(-c3ccccc3)nn2)[C@H](O)[C@H]1OAglycone:
CCn1cc(-c2ccccc2)nn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 305.33 | Num_heavy_atoms: | 22 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD11142
Formula: C10H11N3
Smiles:
CCn1cc(-c2ccccc2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 173.22 | Num_heavy_atoms: | 13 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
