Glycoside
GD082737
Name:
NoneFormula:
C13H20O11N2SSmiles:
CO/N=C(\C(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccco1Aglycone:
CON=C(C(N)=O)c1ccco1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 412.37 | Num_heavy_atoms: | 27 |
| TPSA: | 203.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD29345
Formula: C7H8O3N2
Smiles:
CON=C(C(N)=O)c1ccco1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.82 | NumAromaticRings: | 1 |
