Glycoside
GD143251
Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,4-dihydronaphthalene-1,4-dioneFormula:
C22H20O11Smiles:
O=C1C(c2ccc(O)c(O)c2)=CC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc21Aglycone:
O=C1C(c2ccc(O)c(O)c2)=CC(=O)c2c(O)cc(O)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.39 | Num_heavy_atoms: | 33 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD57628
Formula: C16H10O6
Smiles:
O=C1C(c2ccc(O)c(O)c2)=CC(=O)c2c(O)cc(O)cc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
