Glycoside
GD126508
Name:
SemperosideFormula:
C16H24O9Smiles:
CC1CC2OC(=O)C3(OC4OC(CO)C(O)C(O)C4O)COCC1C23Aglycone:
CC1CC2OC(=O)C3(O)COCC1C23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.36 | Num_heavy_atoms: | 25 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51195
Formula: C10H14O4
Smiles:
CC1CC2OC(=O)C3(O)COCC1C23| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
