Glycoside
GD032994
Name:
NoneFormula:
C18H19O5N5SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCc2cccc(C(=O)O)c2)[C@H](O)[C@H]1OAglycone:
CSCc1cccc(C(=O)O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.45 | Num_heavy_atoms: | 29 |
| TPSA: | 156.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD21093
Formula: C9H10O2S
Smiles:
CSCc1cccc(C(=O)O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
