Glycoside
GD089879
Name:
NoneFormula:
C16H26O8N3ClSSmiles:
Cc1c(Cl)nc(C(C)(C)C)nc1N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.Cc1c(N)nc(C(C)(C)C)nc1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 443.91 | Num_heavy_atoms: | 28 |
| TPSA: | 177.65 | 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 |
AD32929
Formula: C10H14N3Cl
Smiles:
Cc1c(N)nc(C(C)(C)C)nc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 199.69 | Num_heavy_atoms: | 13 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
