Glycoside
GD126423
Name:
Ilekudinoside KFormula:
C42H64O13Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C=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=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: | 13 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 776.96 | Num_heavy_atoms: | 55 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD47224
Formula: C30H44O4
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C=CC2=C3C4(CCC(C)(OC4=O)C3(C)O)CCC21C| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 468.68 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
