Glycoside
GD080618
Name:
NoneFormula:
C13H21O10N3SSmiles:
CC(=O)c1nc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cn1CAglycone:
CC(=O)c1nc(C(N)=O)cn1C.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 411.39 | Num_heavy_atoms: | 27 |
| TPSA: | 203.83 | 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 |
AD28865
Formula: C7H9O2N3
Smiles:
CC(=O)c1nc(C(N)=O)cn1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.17 | Num_heavy_atoms: | 12 |
| TPSA: | 77.98 | NumAromaticRings: | 1 |
