Glycoside
GD132565
Name:
6-acetyl-5,8-dihydroxy-7-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C20H22O11Smiles:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(OC3OC(CO)C(O)C(O)C3O)c2c1OAglycone:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.39 | Num_heavy_atoms: | 31 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD47220
Formula: C14H12O6
Smiles:
CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O)c2c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
