Glycoside
GD157261
Name:
5,8-dihydroxy-7-methyl-6-{3-[2-(2-phenylethyl)phenyl]propanoyl}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)-5-(3-methylbutyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C40H46O11Smiles:
Cc1c(C(=O)CCc2ccccc2CCc2ccccc2)c(O)c2c(OC3OC(CO)C(O)(CCC(C)C)C(O)C3O)cc(C(=O)O)cc2c1OAglycone:
CCC(C)C.Cc1c(C(=O)CCc2ccccc2CCc2ccccc2)c(O)c2c(O)cc(C(=O)O)cc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 14 |
| MolWt: | 702.8 | Num_heavy_atoms: | 51 |
| TPSA: | 194.21 | NumAromaticRings: | 4 |
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 |
AD49256
Formula: C29H26O6
Smiles:
Cc1c(C(=O)CCc2ccccc2CCc2ccccc2)c(O)c2c(O)cc(C(=O)O)cc2c1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 5.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 470.52 | Num_heavy_atoms: | 35 |
| TPSA: | 115.06 | NumAromaticRings: | 4 |
