Glycoside
GD126362
Name:
5-hydroxy-7-methyl-6-(3-phenylpropanoyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)-5-(3-methylbutyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C32H38O10Smiles:
Cc1cc2cc(C(=O)O)cc(OC3OC(CO)C(O)(CCC(C)C)C(O)C3O)c2c(O)c1C(=O)CCc1ccccc1Aglycone:
CCC(C)C.Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 582.65 | Num_heavy_atoms: | 42 |
| TPSA: | 173.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD00195
Formula: C5H12
Smiles:
CCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 72.15 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD46401
Formula: C21H18O5
Smiles:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CCc1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.37 | Num_heavy_atoms: | 26 |
| TPSA: | 94.83 | NumAromaticRings: | 3 |
