Glycoside
GD138306
Name:
(6-{[3-(3,4-dimethoxybenzoyloxy)-2-methylpropanoyl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C27H32O14Smiles:
COc1cc(C(=O)OCC2OC(OC(=O)C(C)COC(=O)c3ccc(OC)c(OC)c3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1ccc(C(=O)OCC(C)C(=O)O)cc1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 196.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD55843
Formula: C13H16O6
Smiles:
COc1ccc(C(=O)OCC(C)C(=O)O)cc1OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 268.26 | Num_heavy_atoms: | 19 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
