Glycoside
GD118847
Name:
5-hydroxy-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:
C40H46O10Smiles:
Cc1cc2cc(C(=O)O)cc(OC3OC(CO)C(O)(CCC(C)C)C(O)C3O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1Aglycone:
CCC(C)C.Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 14 |
| MolWt: | 686.8 | Num_heavy_atoms: | 50 |
| 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 |
AD45500
Formula: C29H26O5
Smiles:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 5.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 454.52 | Num_heavy_atoms: | 34 |
| TPSA: | 94.83 | NumAromaticRings: | 4 |
