Glycoside
GD083240
Name:
NoneFormula:
C21H27O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2nccc3c2CCN(Cc2ccccc2)C3)[C@@H](O)[C@@H]1OAglycone:
Nc1nccc2c1CCN(Cc1ccccc1)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 401.46 | Num_heavy_atoms: | 29 |
| TPSA: | 118.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD37169
Formula: C15H17N3
Smiles:
Nc1nccc2c1CCN(Cc1ccccc1)C2| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.32 | Num_heavy_atoms: | 18 |
| TPSA: | 42.15 | NumAromaticRings: | 2 |
