Glycoside
GD135399
Name:
methyl 4-({[4-(3,4-dihydroxyphenyl)butanoyl]oxy}methyl)-3-formyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C25H32O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=O)C1COC(=O)CCCc1ccc(O)c(O)c1Aglycone:
COC(=O)C1=COC(O)C(C=O)C1COC(=O)CCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 556.52 | Num_heavy_atoms: | 39 |
| TPSA: | 218.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD54749
Formula: C19H22O9
Smiles:
COC(=O)C1=COC(O)C(C=O)C1COC(=O)CCCc1ccc(O)c(O)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 394.38 | Num_heavy_atoms: | 28 |
| TPSA: | 139.59 | NumAromaticRings: | 1 |
