Glycoside
GD101649
Name:
NoneFormula:
C16H19O5N4ISmiles:
OC[C@H]1O[C@@H](n2cc(I)c3c(N=C4CCOCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
IC1=C[N]c2ncnc(N=C3CCOCC3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.26 | Num_heavy_atoms: | 26 |
| TPSA: | 122.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD43036
Formula: C11H10ON4I
Smiles:
IC1=C[N]c2ncnc(N=C3CCOCC3)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 341.13 | Num_heavy_atoms: | 17 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
