Glycoside
GD155072
Name:
{6-[2,3-dihydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-phenylprop-2-enoateFormula:
C26H32O12Smiles:
COc1cc(C(O)C(O)COC2OC(COC(=O)C=Cc3ccccc3)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1ccccc1.COc1cc(C(O)C(O)CO)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00104
Formula: C11H16O6
Smiles:
COc1cc(C(O)C(O)CO)cc(OC)c1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
