Glycoside
GD128437
Name:
1-[1-hydroxy-5-(hydroxymethyl)-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl]ethan-1-oneFormula:
C21H26O10Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1COAglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD47988
Formula: C15H16O5
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
