Glycoside
GD148130
Name:
1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-5-methylhexan-1-oneFormula:
C25H34O9Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CCCC(C)C)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCCC(C)C)c(C)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 478.54 | Num_heavy_atoms: | 34 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD59290
Formula: C19H24O4
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCCC(C)C)c(C)cc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 316.4 | Num_heavy_atoms: | 23 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
