Glycoside
GD151566
Name:
NoneFormula:
C44H74O14Smiles:
CC(CCC(C)(O)C(C)(C)C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3Aglycone:
CC(CCC(C)(O)C(C)(C)C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 827.06 | Num_heavy_atoms: | 58 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD03037
Formula: C32H54O4
Smiles:
CC(CCC(C)(O)C(C)(C)C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 7.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 502.78 | Num_heavy_atoms: | 36 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
