Glycoside
GD140826
Name:
seco-sporulositolFormula:
C21H34O6Smiles:
CC(C)=CCCc1c(C)ccc(C)c1COC(C(O)CO)C(O)C(O)COAglycone:
CC(C)=CCCc1c(C)ccc(C)c1CSugarmoiety:
OCC(O)C(O)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 382.5 | Num_heavy_atoms: | 27 |
| TPSA: | 110.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD56776
Formula: C15H22
Smiles:
CC(C)=CCCc1c(C)ccc(C)c1C| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.47 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.34 | Num_heavy_atoms: | 15 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
