Glycoside
GD154883
Name:
1-(2-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethan-1-oneFormula:
C21H30O14Smiles:
COc1cc(O)c(C(C)=O)c(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c1Aglycone:
COc1cc(O)c(C(C)=O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.46 | Num_heavy_atoms: | 35 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD04639
Formula: C9H10O4
Smiles:
COc1cc(O)c(C(C)=O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
