Glycoside
GD146526
Name:
schefflerin eFormula:
C36H60O9Smiles:
C=C(CO)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5C(OC5OC(CO)C(O)C(O)C5O)CC43C)C12Aglycone:
C=C(CO)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 636.87 | Num_heavy_atoms: | 45 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD58746
Formula: C30H50O4
Smiles:
C=C(CO)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
