Glycoside
GD124887
Name:
Trojanoside IFormula:
C47H74O17Smiles:
CC(=O)OC1CC2(C)C3CC(OC4OC(CO)C(O)C(O)C4O)C4C(C)(C)C(OC5OCC(O)C(OC(C)=O)C5OC(C)=O)CCC45CC35CCC2(C)C1C1(C)CCC(C(C)(C)O)O1Aglycone:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C1(C)CCC(C(C)(C)O)O1Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 911.09 | Num_heavy_atoms: | 64 |
| TPSA: | 246.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD50485
Formula: C32H52O6
Smiles:
CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C1(C)CCC(C(C)(C)O)O1| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 532.76 | Num_heavy_atoms: | 38 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
