Glycoside
GD157050
Name:
(2-{6-[(3,4-dimethoxyphenoxy)methyl]-3,4,5-trihydroxyoxan-2-yl}-5-methoxyphenyl)methyl benzoateFormula:
C29H32O10Smiles:
COc1ccc(C2OC(COc3ccc(OC)c(OC)c3)C(O)C(O)C2O)c(COC(=O)c2ccccc2)c1Aglycone:
COc1ccc(OC)c(OC)c1.COc1cccc(COC(=O)c2ccccc2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.34 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 540.57 | Num_heavy_atoms: | 39 |
| TPSA: | 133.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD13875
Formula: C9H12O3
Smiles:
COc1ccc(OC)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 27.69 | NumAromaticRings: | 1 |
AD62129
Formula: C15H14O3
Smiles:
COc1cccc(COC(=O)c2ccccc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 35.53 | NumAromaticRings: | 2 |
