Glycoside
GD126801
Name:
schefflerin dFormula:
C36H62O9Smiles:
CC(C)(O)C1CCC2(C)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5C(OC5OC(CO)C(O)C(O)C5O)CC43C)C12Aglycone:
CC(C)(O)C1CCC2(C)C(O)CC3(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: | 1.0 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 638.88 | Num_heavy_atoms: | 45 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD51322
Formula: C30H52O4
Smiles:
CC(C)(O)C1CCC2(C)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
