Glycoside
GD072200
Name:
NoneFormula:
C11H18O9N2S2Smiles:
Cc1ncc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)s1Aglycone:
COS(O)(O)O.Cc1ncc(C(N)=O)s1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.4 | Num_heavy_atoms: | 24 |
| TPSA: | 181.83 | 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 |
AD26504
Formula: C5H6ON2S
Smiles:
Cc1ncc(C(N)=O)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.18 | Num_heavy_atoms: | 9 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
