Glycoside
GD083016
Name:
NoneFormula:
C22H32O5N2Smiles:
C[C@](O)(CO)[C@@](C)(O)[C@@](C)(O)[C@H]1N2C[C@@]3(C)CN1C[C@@](c1ccccc1)(C2)C3=OAglycone:
CC12CN3CN(C1)CC(c1ccccc1)(C3)C2=OSugarmoiety:
CC(O)(O)C(C)(O)C(C)(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.51 | Num_heavy_atoms: | 29 |
| TPSA: | 104.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD30329
Formula: C15H18ON2
Smiles:
CC12CN3CN(C1)CC(c1ccccc1)(C3)C2=O| HBA: | 3 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.32 | Num_heavy_atoms: | 18 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
