Glycoside
GD007528
Name:
NoneFormula:
C16H22O5N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS[C@@H]2CCN[C@H](C(=O)O)C2)[C@H](O)[C@H]1OAglycone:
CSC1CCNC(C(=O)O)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.46 | Num_heavy_atoms: | 28 |
| TPSA: | 168.64 | NumAromaticRings: | 2 |
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 |
AD06118
Formula: C7H13O2NS
Smiles:
CSC1CCNC(C(=O)O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 175.25 | Num_heavy_atoms: | 11 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
