Glycoside
GD132594
Name:
2-{5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4-dimethoxybenzoateFormula:
C32H34O13Smiles:
COc1ccc(C(=O)OC2C(c3c(O)c(C)c(O)c4c3OCC(Cc3ccc(O)cc3)C4=O)OC(CO)C(O)C2O)cc1OCAglycone:
COc1ccc(C(=O)O)cc1OC.Cc1c(O)cc2c(c1O)C(=O)C(Cc1ccc(O)cc1)CO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 626.61 | Num_heavy_atoms: | 45 |
| TPSA: | 201.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD04892
Formula: C9H10O4
Smiles:
COc1ccc(C(=O)O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD53686
Formula: C17H16O5
Smiles:
Cc1c(O)cc2c(c1O)C(=O)C(Cc1ccc(O)cc1)CO2| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
