Glycoside
GD122696
Name:
Quinquenoside IiiFormula:
C50H84O19Smiles:
CC(=O)OC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(C(C)(CCC=C(C)C)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2(C)OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
CC(=O)OC1OC(O)C(OC2(C)OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 989.2 | Num_heavy_atoms: | 69 |
| TPSA: | 304.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00161
Formula: C30H52O3
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.74 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
