Glycoside
GD118848
Name:
Ilekudinoside LFormula:
C41H64O14Smiles:
CC1(C)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CSugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 780.95 | Num_heavy_atoms: | 55 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD08875
Formula: C30H46O5
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
