Glycoside
GD151497
Name:
Ilekudinoside SFormula:
C42H66O14Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C(O)CC4=C6C7(CCC(C)(OC7=O)C6(C)O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(O)CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 794.98 | Num_heavy_atoms: | 56 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD00503
Formula: C30H46O5
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(O)CC2=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 |
