Glycoside
GD133422
Name:
1-{3-[(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)methyl]-2-hydroxy-6-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}ethan-1-oneFormula:
C25H30O13Smiles:
COc1cc(O)c(Cc2c(OC3OC(CO)C(O)C(O)C3O)cc(OC)c(C(C)=O)c2O)c(O)c1C(C)=OAglycone:
COc1cc(O)c(Cc2c(O)cc(OC)c(C(C)=O)c2O)c(O)c1C(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD54004
Formula: C19H20O8
Smiles:
COc1cc(O)c(Cc2c(O)cc(OC)c(C(C)=O)c2O)c(O)c1C(C)=O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
