Glycoside
GD133426
Name:
Trojanoside AFormula:
C43H70O15Smiles:
CC(=O)OC1CC2(C)C3CC(OC4OC(CO)C(O)C(O)C4O)C4C(C)(C)C(OC5OCC(O)C(O)C5O)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:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 827.02 | Num_heavy_atoms: | 58 |
| TPSA: | 234.29 | 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 |
