Glycoside
GD030408
Name:
NoneFormula:
C14H17O4N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCc2cc(O)[nH]n2)[C@H](O)[C@H]1OAglycone:
CSCc1cc(O)[nH]n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 379.4 | Num_heavy_atoms: | 26 |
| TPSA: | 168.22 | 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 |
AD19676
Formula: C5H8ON2S
Smiles:
CSCc1cc(O)[nH]n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 144.2 | Num_heavy_atoms: | 9 |
| TPSA: | 48.91 | NumAromaticRings: | 1 |
