Glycoside
GD154424
Name:
1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-oneFormula:
C28H38O12Smiles:
COc1ccc(C(=O)CCC(OC2OC(CO)C(O)C(O)C2O)C(OC)c2ccc(OC)c(OC)c2)cc1OCAglycone:
COc1ccc(C(=O)CCC(O)C(OC)c2ccc(OC)c(OC)c2)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 14 |
| MolWt: | 566.6 | Num_heavy_atoms: | 40 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD61336
Formula: C22H28O7
Smiles:
COc1ccc(C(=O)CCC(O)C(OC)c2ccc(OC)c(OC)c2)cc1OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 404.46 | Num_heavy_atoms: | 29 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
