Glycoside
GD103851
Name:
NoneFormula:
C17H19O4N6ISmiles:
C=CCn1cc(Nc2ncnc3c2c(I)cn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1Aglycone:
C=CCn1cc(Nc2ncnc3c2C(I)=C[N]3)cn1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.28 | Num_heavy_atoms: | 28 |
| TPSA: | 130.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD43904
Formula: C12H10N6I
Smiles:
C=CCn1cc(Nc2ncnc3c2C(I)=C[N]3)cn1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 365.16 | Num_heavy_atoms: | 19 |
| TPSA: | 69.73 | NumAromaticRings: | 2 |
