Glycoside
GD127812
Name:
1,5-bis(3,4-dimethoxyphenyl)-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-oneFormula:
C27H36O12Smiles:
COc1ccc(C(=O)CCC(OC2OC(CO)C(O)C(O)C2O)C(O)c2ccc(OC)c(OC)c2)cc1OCAglycone:
COc1ccc(C(=O)CCC(O)C(O)c2ccc(OC)c(OC)c2)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 13 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD51767
Formula: C21H26O7
Smiles:
COc1ccc(C(=O)CCC(O)C(O)c2ccc(OC)c(OC)c2)cc1OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
