Glycoside
GD120123
Name:
2-[4-({[3-(3,4-dihydroxyphenyl)propanoyl]oxy}methyl)-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-3-ylidene]acetic acidFormula:
C25H30O15Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC(=O)O)C1COC(=O)CCc1ccc(O)c(O)c1Aglycone:
COC(=O)C1=COC(O)C(=CC(=O)O)C1COC(=O)CCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 10 |
| MolWt: | 570.5 | Num_heavy_atoms: | 40 |
| TPSA: | 238.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD48220
Formula: C19H20O10
Smiles:
COC(=O)C1=COC(O)C(=CC(=O)O)C1COC(=O)CCc1ccc(O)c(O)c1| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.36 | Num_heavy_atoms: | 29 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
