Glycoside
GD138634
Name:
Trojanoside JFormula:
C50H80O19Smiles:
CC(=O)OC1COC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(OC3OCC(O)C(O)C3O)C4C2(C)C)C(OC2OC(C)C(O)C(O)C2O)C1OC(C)=OAglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
CC(=O)OC1COC(O)C(OC2OC(C)C(O)C(O)C2O)C1OC(C)=O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 985.17 | Num_heavy_atoms: | 69 |
| TPSA: | 279.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD04921
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
