Glycoside
GD022035
Name:
NoneFormula:
C17H17O4N4ISmiles:
C[C@@H]1O[C@H](n2cc(I)c3c(Nc4ccc(O)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1ccc(Nc2ncnc3c2C(I)=C[N]3)cc1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 468.25 | Num_heavy_atoms: | 26 |
| TPSA: | 112.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD14984
Formula: C12H8ON4I
Smiles:
Oc1ccc(Nc2ncnc3c2C(I)=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 351.13 | Num_heavy_atoms: | 18 |
| TPSA: | 72.14 | NumAromaticRings: | 2 |
