Glycoside
GD138156
Name:
2,6-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-2,5-dien-4-oneFormula:
C16H26O7Smiles:
CC(C)=CC(=O)C=C(C)CCOC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CC(=O)C=C(C)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 330.38 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD21652
Formula: C10H16O2
Smiles:
CC(C)=CC(=O)C=C(C)CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
