Glycoside
GD007399
Name:
NoneFormula:
C22H27O6N2ClSmiles:
CC(C)COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)nn1Aglycone:
CC(C)COc1ccc(Cc2ccccc2Cl)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 438.91 | Num_heavy_atoms: | 30 |
| TPSA: | 125.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD06030
Formula: C16H17ON2Cl
Smiles:
CC(C)COc1ccc(Cc2ccccc2Cl)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.77 | Num_heavy_atoms: | 19 |
| TPSA: | 35.01 | NumAromaticRings: | 2 |
