Glycoside
GD004341
Name:
NoneFormula:
C27H51O9NSSmiles:
C=CCCC(=O)N[C@H]1[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H](CO)O[C@H]1OCCCCCCCCCCCCCCCCAglycone:
C=CCCC(N)=O.CCCCCCCCCCCCCCCCO.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 23 |
| MolWt: | 565.77 | Num_heavy_atoms: | 38 |
| TPSA: | 151.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD01052
Formula: C16H34O
Smiles:
CCCCCCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 14 |
| MolWt: | 242.45 | Num_heavy_atoms: | 17 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD03794
Formula: C5H9ON
Smiles:
C=CCCC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
