Glycoside
GD124244
Name:
2-(3,4-dimethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolane-3,4-diolFormula:
C21H26O8Smiles:
COc1cc(CC2(O)COC(c3ccc(OC)c(OC)c3)C2(O)CO)ccc1OAglycone:
COc1cc(C)ccc1O.COc1ccccc1OCSugarmoiety:
OCC1(O)C(O)OCC1(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD16458
Formula: C8H10O2
Smiles:
COc1cc(C)ccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD44767
Formula: C8H10O2
Smiles:
COc1ccccc1OC| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 18.46 | NumAromaticRings: | 1 |
