Glycoside
GD122918
Name:
7-[(3,7,11-trimethyl-10-oxo-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dodeca-2,6-dien-1-yl)oxy]-2H-chromen-2-oneFormula:
C30H40O10Smiles:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CCC(=O)C(C)(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CCC(=O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 13 |
| MolWt: | 560.64 | Num_heavy_atoms: | 40 |
| TPSA: | 155.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD49577
Formula: C24H30O5
Smiles:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CCC(=O)C(C)(C)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 398.5 | Num_heavy_atoms: | 29 |
| TPSA: | 76.74 | NumAromaticRings: | 2 |
