Glycoside
GD118784
Name:
4,4a-dimethyl-6-(prop-1-en-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,5,6-hexahydronaphthalen-2-oneFormula:
C21H30O7Smiles:
C=C(C)C1CC2(C)C(=CC(=O)CC2C)C=C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=C(C)C1CC2(C)C(=CC(=O)CC2C)C=C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.46 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD47527
Formula: C15H20O2
Smiles:
C=C(C)C1CC2(C)C(=CC(=O)CC2C)C=C1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 232.32 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
