Glycoside
GD122046
Name:
4,7-dimethyl-1-(propan-2-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-oneFormula:
C21H34O7Smiles:
CC1=CC2C(CC1OC1OC(CO)C(O)C(O)C1O)C(C)CC(=O)C2C(C)CAglycone:
CC1=CC2C(CC1O)C(C)CC(=O)C2C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.5 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD49157
Formula: C15H24O2
Smiles:
CC1=CC2C(CC1O)C(C)CC(=O)C2C(C)C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
