Glycoside
GD115154
Name:
5-hydroxy-7-methyl-6-{3-[2-(2-phenylethyl)phenyl]propanoyl}-4-{[3,4,5-trihydroxy-6-(1-hydroxycyclohexyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C40H44O10Smiles:
Cc1cc2cc(C(=O)O)cc(OC3OC(C4(O)CCCCC4)C(O)C(O)C3O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1Aglycone:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1.OC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 684.78 | Num_heavy_atoms: | 50 |
| TPSA: | 173.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD06056
Formula: C6H12O
Smiles:
OC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.16 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | 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 |
