Glycoside
GD134588
Name:
Rubiadin PrimeverosideFormula:
C26H28O13Smiles:
Cc1c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc2c(c1O)C(=O)c1ccccc1C2=OAglycone:
Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD12307
Formula: C15H10O4
Smiles:
Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
