Glycoside
GD122373
Name:
7-[(6-hydroxy-3,7-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-2-en-1-yl)oxy]-2H-chromen-2-oneFormula:
C25H34O10Smiles:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC(O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 494.54 | Num_heavy_atoms: | 35 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD49070
Formula: C19H24O5
Smiles:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC(O)C(C)(C)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 332.4 | Num_heavy_atoms: | 24 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
