Glycoside
GD021623
Name:
NoneFormula:
C19H27O9NSSmiles:
C=CCCC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@H]1OCCc1ccccc1Aglycone:
C=CCCC(N)=O.COS(=O)(=O)O.OCCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 445.49 | Num_heavy_atoms: | 30 |
| TPSA: | 151.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD00027
Formula: C8H10O
Smiles:
OCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | 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 |
