Glycoside
GD020003
Name:
NoneFormula:
C27H51O16NSSmiles:
CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](OCC(CO)(CO)COS(=O)(=O)O)[C@H](O[C@@H]2OC(C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=OAglycone:
CCCCCCCCO.O=S(=O)(O)OCC(CO)(CO)COSugarmoiety:
CC(=O)NC1C(O)OC(CO)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 |
AD10933
Formula: C5H12O7S
Smiles:
O=S(=O)(O)OCC(CO)(CO)CO| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 216.21 | Num_heavy_atoms: | 13 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
