Glycoside
GD121964
Name:
6-[2-(4-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-5-hydroxy-7-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)-5-(3-methylbutyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C42H48O10Smiles:
Cc1cc2cc(C(=O)O)cc(OC3OC(CO)C(O)(CCC(C)C)C(O)C3O)c2c(O)c1C(=O)CC1CCC(Cc2ccccc2)c2ccccc21Aglycone:
CCC(C)C.Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CC1CCC(Cc2ccccc2)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 712.84 | Num_heavy_atoms: | 52 |
| TPSA: | 173.98 | 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 |
AD48747
Formula: C31H28O5
Smiles:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CC1CCC(Cc2ccccc2)c2ccccc21| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 6.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.56 | Num_heavy_atoms: | 36 |
| TPSA: | 94.83 | NumAromaticRings: | 4 |
