Glycoside
GD143678
Name:
2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-{[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-4-methoxy-4-oxobutanoic acidFormula:
C22H22O11Smiles:
COC(=O)C(OC(=O)C=Cc1ccc(OC)c(O)c1)C(O)(Cc1ccc(O)c(O)c1)C(=O)OAglycone:
COc1ccc(C=CC=O)cc1O.Cc1ccc(O)c(O)c1Sugarmoiety:
COC(=O)C(OO)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD06437
Formula: C7H8O2
Smiles:
Cc1ccc(O)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD19648
Formula: C10H10O3
Smiles:
COc1ccc(C=CC=O)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
