Glycoside
GD120962
Name:
{6-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetateFormula:
C29H36O12Smiles:
COc1ccc(CC2COC(=O)C2Cc2ccc(OC3OC(COC(C)=O)C(O)C(O)C3O)c(OC)c2)cc1OCAglycone:
COC(C)=O.COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 576.6 | Num_heavy_atoms: | 41 |
| TPSA: | 159.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD12673
Formula: C21H24O6
Smiles:
COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
