Glycoside
GD085446
Name:
1-(1-hydroxy-8-methoxy-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-oneFormula:
C20H24O9Smiles:
COc1cc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc2cc(C)c(C(C)=O)c(O)c12Aglycone:
COc1cc(O)cc2cc(C)c(C(C)=O)c(O)c12Sugarmoiety:
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
AD16669
Formula: C14H14O4
Smiles:
COc1cc(O)cc2cc(C)c(C(C)=O)c(O)c12| 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 |
