Glycoside
GD024909
Name:
NoneFormula:
C27H51O16NSSmiles:
CCCCCCCCO[C@@H]1O[C@H](COCC(CO)(CO)COS(=O)(=O)O)C(O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=OAglycone:
CCCCCCCCO.COCC(CO)(CO)COS(=O)(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 20 |
| MolWt: | 677.76 | Num_heavy_atoms: | 45 |
| TPSA: | 260.23 | 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 |
AD03507
Formula: C6H14O7S
Smiles:
COCC(CO)(CO)COS(=O)(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 230.24 | Num_heavy_atoms: | 14 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
