Glycoside
GD152135
Name:
1-(4-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-6-methoxy-3-methylphenyl)ethan-1-oneFormula:
C21H30O13Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C3O)C(O)C(O)C2O)c(C)c(O)c1C(C)=OAglycone:
COc1cc(O)c(C)c(O)c1C(C)=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.46 | Num_heavy_atoms: | 34 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD51287
Formula: C10H12O4
Smiles:
COc1cc(O)c(C)c(O)c1C(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
