Glycoside
GD119164
Name:
NepetasideFormula:
C16H26O8Smiles:
CC1COC(=O)C2C(C)C(OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
CC1COC(=O)C2C(C)C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.38 | Num_heavy_atoms: | 24 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47699
Formula: C10H16O3
Smiles:
CC1COC(=O)C2C(C)C(O)CC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
