Glycoside
GD153339
Name:
5,7,7'-trihydroxy-2,2'-bis(4-hydroxyphenyl)-5'-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6'-(3,4,5-trihydroxyoxan-2-yl)-4H,4'H-[8,8'-bichromene]-4,4'-dioneFormula:
C42H38O19Smiles:
COc1c(C2OCC(O)C(O)C2O)c(O)c(-c2c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)c2oc(-c3ccc(O)cc3)cc(=O)c12Aglycone:
COc1cc(O)c(-c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)c2oc(-c3ccc(O)cc3)cc(=O)c12Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.29 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 846.75 | Num_heavy_atoms: | 61 |
| TPSA: | 330.87 | NumAromaticRings: | 6 |
Unique Aglycone
AD60989
Formula: C31H20O10
Smiles:
COc1cc(O)c(-c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)c2oc(-c3ccc(O)cc3)cc(=O)c12| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.03 |
| AlogP: | 5.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 552.49 | Num_heavy_atoms: | 41 |
| TPSA: | 170.8 | NumAromaticRings: | 6 |
