Glycoside
GD146744
Name:
Neosedumoside IiFormula:
C19H30O8Smiles:
CC1(C)CC(=O)C=C2CC(O)(COC3OC(CO)C(O)C(O)C3O)CCC21Aglycone:
CC1(C)CC(=O)C=C2CC(O)(CO)CCC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.44 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58821
Formula: C13H20O3
Smiles:
CC1(C)CC(=O)C=C2CC(O)(CO)CCC21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 224.3 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
