Glycoside
GD133023
Name:
Emmyguyacin BFormula:
C24H40O16Smiles:
CCCCCC(CCCC(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2O)C1O)OC(=O)C(=O)OAglycone:
CCCCCC(CCCC(=O)O)OC(=O)C(=O)OSugarmoiety:
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 14 |
| MolWt: | 584.57 | Num_heavy_atoms: | 40 |
| TPSA: | 259.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD53851
Formula: C12H20O6
Smiles:
CCCCCC(CCCC(=O)O)OC(=O)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 260.29 | Num_heavy_atoms: | 18 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
