Glycoside
GD148542
Name:
1-{2-hydroxy-4-methoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethan-1-oneFormula:
C21H30O13Smiles:
COc1cc(O)c(C(C)=O)c(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)c1Aglycone:
COc1cc(O)c(C(C)=O)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.46 | Num_heavy_atoms: | 34 |
| TPSA: | 204.83 | 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 |
