Glycoside
GD146751
Name:
Evodioside BFormula:
C32H40O15Smiles:
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)CC2=OAglycone:
CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.66 | Num_heavy_atoms: | 47 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD46474
Formula: C20H20O5
Smiles:
CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 340.38 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
