Glycoside
GD117812
Name:
4-{[5-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-7-methyl-6-(3-phenylpropanoyl)naphthalene-2-carboxylic acidFormula:
C29H32O10Smiles:
CCC1(O)C(CO)OC(Oc2cc(C(=O)O)cc3cc(C)c(C(=O)CCc4ccccc4)c(O)c23)C(O)C1OAglycone:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CCc1ccccc1Sugarmoiety:
CCC1(O)C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 540.57 | Num_heavy_atoms: | 39 |
| TPSA: | 173.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD46401
Formula: C21H18O5
Smiles:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CCc1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.37 | Num_heavy_atoms: | 26 |
| TPSA: | 94.83 | NumAromaticRings: | 3 |
