Glycoside
GD033813
Name:
NoneFormula:
C32H61O16NSmiles:
CCCCCCCCOC1OC(COCC(CO)(CO)CO)C(OCC(CO)(CO)CO)C(OC2OC(C)C(O)C(O)C2O)C1NC(C)=OAglycone:
CCCCCCCCO.COCC(CO)(CO)CO.OCC(CO)(CO)COSugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.97 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 24 |
| MolWt: | 715.83 | Num_heavy_atoms: | 49 |
| TPSA: | 266.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD00023
Formula: C8H18O
Smiles:
CCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD06485
Formula: C6H14O4
Smiles:
COCC(CO)(CO)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 150.17 | Num_heavy_atoms: | 10 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD17105
Formula: C5H12O4
Smiles:
OCC(CO)(CO)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 136.15 | Num_heavy_atoms: | 9 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
