Glycoside
GD154410
Name:
4,5-dihydroxy-6-[(8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl)oxy]-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C25H34O9Smiles:
C=CC(C)(CCC=C(C)CO)OC1OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CO.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 478.54 | Num_heavy_atoms: | 34 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD13647
Formula: C10H18O2
Smiles:
C=CC(C)(O)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
