Glycoside
GD123958
Name:
1-(6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2'-methoxy-[1,1'-biphenyl]-3-yl)propan-1-oneFormula:
C27H34O12Smiles:
CCC(=O)c1ccc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c(-c2ccccc2OC)c1Aglycone:
CCC(=O)c1ccc(O)c(-c2ccccc2OC)c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.56 | Num_heavy_atoms: | 39 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD50051
Formula: C16H16O3
Smiles:
CCC(=O)c1ccc(O)c(-c2ccccc2OC)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.3 | Num_heavy_atoms: | 19 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
