Glycoside
GD151670
Name:
1-Methoxy-3-Hydroxy-2-Carbomethoxy-9,10-Anthraquinone 3-O-Beta-PrimeverosideFormula:
C28H30O15Smiles:
COC(=O)c1c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc2c(c1OC)C(=O)c1ccccc1C2=OAglycone:
COC(=O)c1c(O)cc2c(c1OC)C(=O)c1ccccc1C2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.53 | Num_heavy_atoms: | 43 |
| TPSA: | 227.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD60460
Formula: C17H12O6
Smiles:
COC(=O)c1c(O)cc2c(c1OC)C(=O)c1ccccc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 89.9 | NumAromaticRings: | 2 |
