Glycoside
GD131768
Name:
5,8-dihydroxy-7-methyl-6-(3-phenylpropanoyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)-5-(3-methylbutyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C32H38O11Smiles:
Cc1c(C(=O)CCc2ccccc2)c(O)c2c(OC3OC(CO)C(O)(CCC(C)C)C(O)C3O)cc(C(=O)O)cc2c1OAglycone:
CCC(C)C.Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O)cc(C(=O)O)cc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 598.65 | Num_heavy_atoms: | 43 |
| TPSA: | 194.21 | 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 |
AD48122
Formula: C21H18O6
Smiles:
Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O)cc(C(=O)O)cc2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.37 | Num_heavy_atoms: | 27 |
| TPSA: | 115.06 | NumAromaticRings: | 3 |
