Glycoside
GD070945
Name:
NoneFormula:
C20H28O6N2Smiles:
C[C@]12CN3C[C@](c4ccccc4)(CN(C1)[C@@H]3[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=OAglycone:
CC12CN3CN(C1)CC(c1ccccc1)(C3)C2=OSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.45 | Num_heavy_atoms: | 28 |
| TPSA: | 124.7 | 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 |
