Glycoside
GD121640
Name:
4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-oneFormula:
C33H44O16Smiles:
COc1ccc(CC2COC(=O)C2Cc2ccc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c(OC)c2)cc1OCAglycone:
COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 13 |
| MolWt: | 696.7 | Num_heavy_atoms: | 49 |
| TPSA: | 232.52 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
