Glycoside
GD148460
Name:
4-{[5-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8-dihydroxy-7-methyl-6-(3-phenylpropanoyl)naphthalene-2-carboxylic acidFormula:
C29H32O11Smiles:
CCC1(O)C(CO)OC(Oc2cc(C(=O)O)cc3c(O)c(C)c(C(=O)CCc4ccccc4)c(O)c23)C(O)C1OAglycone:
Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O)cc(C(=O)O)cc2c1OSugarmoiety:
CCC1(O)C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 556.56 | Num_heavy_atoms: | 40 |
| TPSA: | 194.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD48122
Formula: C21H18O6
Smiles:
Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O)cc(C(=O)O)cc2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.37 | Num_heavy_atoms: | 27 |
| TPSA: | 115.06 | NumAromaticRings: | 3 |
