Glycoside
GD143852
Name:
1,2,7-Trihydroxy-6-Methylanthraquinone; O2-β-PrimeverosideFormula:
C26H28O14Smiles:
Cc1cc2c(cc1O)C(=O)c1c(ccc(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)c1O)C2=OAglycone:
Cc1cc2c(cc1O)C(=O)c1c(ccc(O)c1O)C2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD57836
Formula: C15H10O5
Smiles:
Cc1cc2c(cc1O)C(=O)c1c(ccc(O)c1O)C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
