Glycoside
GD130639
Name:
2-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2-[(4-hydroxyphenyl)methyl]-4-methoxy-4-oxobutanoic acidFormula:
C22H22O10Smiles:
COC(=O)C(OC(=O)C=Cc1ccc(O)c(OC)c1)C(O)(Cc1ccc(O)cc1)C(=O)OAglycone:
COc1cc(C=CC=O)ccc1O.Cc1ccc(O)cc1Sugarmoiety:
COC(=O)C(OO)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 159.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD06867
Formula: C10H10O3
Smiles:
COc1cc(C=CC=O)ccc1O| 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 |
