Glycoside
GD011611
Name:
FRANGULIN A PERACETATEFormula:
C31H30O14Smiles:
CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc1C2=OAglycone:
CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O)cc1C2=OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.39 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.57 | Num_heavy_atoms: | 45 |
| TPSA: | 184.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD08858
Formula: C19H14O7
Smiles:
CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O)cc1C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.31 | Num_heavy_atoms: | 26 |
| TPSA: | 106.97 | NumAromaticRings: | 2 |
