Glycoside
GD071626
Name:
NoneFormula:
C13H21O8N4SSmiles:
Cn1ccc2c(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)[nH+]cnc21Aglycone:
COS(O)(O)O.Cn1ccc2c(N)[nH+]cnc21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 393.4 | Num_heavy_atoms: | 26 |
| TPSA: | 183.83 | NumAromaticRings: | 2 |
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 |
AD25578
Formula: C7H9N4
Smiles:
Cn1ccc2c(N)[nH+]cnc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.18 | Num_heavy_atoms: | 11 |
| TPSA: | 57.98 | NumAromaticRings: | 2 |
