Glycoside
GD076184
Name:
NoneFormula:
C12H16O8N3FSSmiles:
N#Cc1c(F)ccnc1N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.N#Cc1c(F)ccnc1NSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 381.34 | Num_heavy_atoms: | 25 |
| TPSA: | 188.55 | 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 |
AD25232
Formula: C6H4N3F
Smiles:
N#Cc1c(F)ccnc1N| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.12 | Num_heavy_atoms: | 10 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
