Glycoside
GD122050
Name:
Foeniculoside XFormula:
C54H52O19Smiles:
OCC1OC(OCC2OC(Oc3cc(O)cc(C4c5c(cc(O)cc5C5c6c(C=Cc7ccc(O)cc7)cc(O)cc6OC5c5ccc(O)cc5)OC4c4ccc(O)cc4)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.3 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 1004.99 | Num_heavy_atoms: | 73 |
| TPSA: | 318.37 | NumAromaticRings: | 6 |
Unique Aglycone
AD49160
Formula: C42H32O9
Smiles:
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1| HBA: | 9 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.1 |
| AlogP: | 8.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 680.71 | Num_heavy_atoms: | 51 |
| TPSA: | 160.07 | NumAromaticRings: | 6 |
