Glycoside
GD102400
Name:
NoneFormula:
C14H16O6N4FISmiles:
O=C(Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)OCCFAglycone:
O=C(Nc1ncnc2c1C(I)=C[N]2)OCCFSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.21 | Num_heavy_atoms: | 26 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD43337
Formula: C9H7O2N4FI
Smiles:
O=C(Nc1ncnc2c1C(I)=C[N]2)OCCF| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 349.08 | Num_heavy_atoms: | 17 |
| TPSA: | 78.21 | NumAromaticRings: | 1 |
