Glycoside
GD025594
Name:
NoneFormula:
C17H23O3N4ISmiles:
C[C@@H]1O[C@H](n2cc(I)c3c(NC4CCCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
IC1=C[N]c2ncnc(NC3CCCCC3)c21Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.3 | Num_heavy_atoms: | 25 |
| TPSA: | 92.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD16949
Formula: C12H14N4I
Smiles:
IC1=C[N]c2ncnc(NC3CCCCC3)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 341.18 | Num_heavy_atoms: | 17 |
| TPSA: | 51.91 | NumAromaticRings: | 1 |
