Glycoside
GD146346
Name:
5,7-dihydroxy-8-[(4-hydroxyphenyl)methyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C34H36O16Smiles:
O=c1cc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)oc2c(Cc3ccc(O)cc3)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.38 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 700.65 | Num_heavy_atoms: | 50 |
| TPSA: | 280.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD57437
Formula: C22H16O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.05 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.36 | Num_heavy_atoms: | 28 |
| TPSA: | 111.13 | NumAromaticRings: | 4 |
