Glycoside
GD119914
Name:
5,8-dihydroxy-7-methyl-6-(3-phenylpropanoyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C27H28O11Smiles:
Cc1c(C(=O)CCc2ccccc2)c(O)c2c(OC3OC(CO)C(O)C(O)C3O)cc(C(=O)O)cc2c1OAglycone:
Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O)cc(C(=O)O)cc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| 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 |
