Glycoside
GD101679
Name:
NoneFormula:
C16H18O5N5ISmiles:
Cc1noc(C)c1Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1noc(C)c1Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 487.25 | Num_heavy_atoms: | 27 |
| TPSA: | 138.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD43050
Formula: C11H9ON5I
Smiles:
Cc1noc(C)c1Nc1ncnc2c1C(I)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.13 | Num_heavy_atoms: | 18 |
| TPSA: | 77.94 | NumAromaticRings: | 2 |
