Glycoside
GD156105
Name:
4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoic acidFormula:
C19H26O12Smiles:
COC(CC(OC1OC(CO)C(O)C(O)C1O)c1c(O)ccc(C(C)=O)c1O)C(=O)OAglycone:
COC(CC(O)c1c(O)ccc(C(C)=O)c1O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 446.41 | Num_heavy_atoms: | 31 |
| TPSA: | 203.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD61849
Formula: C13H16O7
Smiles:
COC(CC(O)c1c(O)ccc(C(C)=O)c1O)C(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
