Glycoside
GD080560
Name:
NoneFormula:
C15H27O9N3SSmiles:
Cc1c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cnn1C(C)(C)CAglycone:
COS(O)(O)O.Cc1c(C(N)=O)cnn1C(C)(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.46 | Num_heavy_atoms: | 28 |
| TPSA: | 186.76 | 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 |
AD28550
Formula: C9H15ON3
Smiles:
Cc1c(C(N)=O)cnn1C(C)(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 181.24 | Num_heavy_atoms: | 13 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
