Glycoside
GD123845
Name:
1-(8-hydroxy-6-methoxy-3-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-oneFormula:
C20H24O9Smiles:
COc1cc(O)c2c(OC3OC(CO)C(O)C(O)C3O)c(C(C)=O)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.4 | Num_heavy_atoms: | 29 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD15787
Formula: C14H14O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
