Glycoside
GD114424
Name:
Itoside MFormula:
C12H20O7Smiles:
OCC1OC(OC2C=CCCC2O)C(O)C(O)C1OAglycone:
OC1C=CCCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.28 | Num_heavy_atoms: | 19 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD45049
Formula: C6H10O2
Smiles:
OC1C=CCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
