Glycoside
GD116574
Name:
Eleganoside BFormula:
C25H42O12Smiles:
CCCCCCCCOC1CC2(O)C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C1(C)OAglycone:
CCCCCCCCOC1CC2(O)C(C(=O)OC)=COC(O)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 534.6 | Num_heavy_atoms: | 37 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD46315
Formula: C19H32O7
Smiles:
CCCCCCCCOC1CC2(O)C(C(=O)OC)=COC(O)C2C1(C)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 372.46 | Num_heavy_atoms: | 26 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
