Glycoside
GD137530
Name:
1,3-Dihydroxy-2-Carbomethoxy-9,10-Anthraquinone 3-O-Beta-PrimeverosideFormula:
C26H26O15Smiles:
O=C1c2ccccc2C(=O)c2c1cc(OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)c(C(=O)O)c2OAglycone:
O=C1c2ccccc2C(=O)c2c1cc(O)c(C(=O)O)c2OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.48 | Num_heavy_atoms: | 41 |
| TPSA: | 249.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD55559
Formula: C15H8O6
Smiles:
O=C1c2ccccc2C(=O)c2c1cc(O)c(C(=O)O)c2O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.22 | Num_heavy_atoms: | 21 |
| TPSA: | 111.9 | NumAromaticRings: | 2 |
