Glycoside
GD114215
Name:
5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,4-dihydronaphthalene-1,4-dioneFormula:
C16H16O8Smiles:
O=C1C=CC(=O)c2c(OC3OC(CO)C(O)C(O)C3O)cccc21Aglycone:
O=C1C=CC(=O)c2c(O)cccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.3 | Num_heavy_atoms: | 24 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD44906
Formula: C10H6O3
Smiles:
O=C1C=CC(=O)c2c(O)cccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 174.16 | Num_heavy_atoms: | 13 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
