Glycoside
GD145823
Name:
Ilekudinoside RFormula:
C41H64O13Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4=C6C7(CCC(C)(OC7=O)C6(C)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CC(O)C2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 764.95 | Num_heavy_atoms: | 54 |
| TPSA: | 204.83 | 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 |
