Glycoside
GD007042
Name:
NoneFormula:
C32H60O9NSSmiles:
CCCCCCCCC=CCCCCCCCC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](COS(=O)(=O)[O-])O[C@H]1OCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCC(N)=O.CCCCCCCCO.COS(=O)(=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 27 |
| MolWt: | 634.9 | Num_heavy_atoms: | 43 |
| TPSA: | 154.45 | 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 |
AD00033
Formula: C18H35ON
Smiles:
CCCCCCCCC=CCCCCCCCC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 15 |
| MolWt: | 281.48 | Num_heavy_atoms: | 20 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
AD00581
Formula: CH3O4S
Smiles:
COS(=O)(=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.1 | Num_heavy_atoms: | 6 |
| TPSA: | 66.43 | NumAromaticRings: | 0 |
