Glycoside
GD120293
Name:
1-[1-hydroxy-5-(hydroxymethyl)-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(1-hydroxy-3-phenylpropyl)oxan-2-yl]oxy}naphthalen-2-yl]ethan-1-oneFormula:
C29H34O10Smiles:
COc1cc(OC2OC(C(O)CCc3ccccc3)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1COAglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1CO.OCCCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 542.58 | Num_heavy_atoms: | 39 |
| TPSA: | 166.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD01225
Formula: C9H12O
Smiles:
OCCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 136.19 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
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 |
