Glycoside
GD010100
Name:
NoneFormula:
C16H21O5N3Smiles:
CO[C@@H]1O[C@H](Cn2cc(Cc3ccccc3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(Cc2ccccc2)nn1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 335.36 | Num_heavy_atoms: | 24 |
| TPSA: | 109.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD03152
Formula: C10H11N3
Smiles:
Cn1cc(Cc2ccccc2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 173.22 | Num_heavy_atoms: | 13 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
