Glycoside
GD096313
Name:
NoneFormula:
C16H21O4N5ISmiles:
OC[C@H]1O[C@@H](n2cc(I)c3c(N=C4CC[NH2+]CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
IC1=C[N]c2ncnc(N=C3CC[NH2+]CC3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.28 | Num_heavy_atoms: | 26 |
| TPSA: | 129.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD40961
Formula: C11H12N5I
Smiles:
IC1=C[N]c2ncnc(N=C3CC[NH2+]CC3)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 341.16 | Num_heavy_atoms: | 17 |
| TPSA: | 68.85 | NumAromaticRings: | 1 |
