Glycoside
GD128876
Name:
Neosedumoside IvFormula:
C19H32O8Smiles:
CC1(C)CC(=O)CC2(C)C1CCC2(O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1(C)CC(=O)CC2(C)C1CCC2(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.46 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD52200
Formula: C13H22O3
Smiles:
CC1(C)CC(=O)CC2(C)C1CCC2(O)CO| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
