Glycoside
GD098932
Name:
NoneFormula:
C15H19O4N5ISmiles:
OC[C@H]1O[C@@H](n2cc(I)c3c(NC4=CC[NH2+]C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
IC1=C[N]c2ncnc(NC3=CC[NH2+]C3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.25 | Num_heavy_atoms: | 25 |
| TPSA: | 129.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD42097
Formula: C10H10N5I
Smiles:
IC1=C[N]c2ncnc(NC3=CC[NH2+]C3)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 327.13 | Num_heavy_atoms: | 16 |
| TPSA: | 68.52 | NumAromaticRings: | 1 |
