Glycoside
GD091032
Name:
NoneFormula:
C18H22O5N6SSmiles:
O=C(NCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccs1Aglycone:
O=C(NCCCNc1ncnc2c1N=C[N]2)c1cccs1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.48 | Num_heavy_atoms: | 30 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD39658
Formula: C13H13ON6S
Smiles:
O=C(NCCCNc1ncnc2c1N=C[N]2)c1cccs1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 301.36 | Num_heavy_atoms: | 21 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
