Glycoside
GD101445
Name:
NoneFormula:
C16H20O4N5ISmiles:
OC[C@H]1O[C@@H](n2cnc3c(N=C4CCCCC4)nc(I)nc32)[C@H](O)[C@@H]1OAglycone:
Ic1nc2c(c(N=C3CCCCC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 473.27 | Num_heavy_atoms: | 26 |
| TPSA: | 125.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD42944
Formula: C11H11N5I
Smiles:
Ic1nc2c(c(N=C3CCCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 340.15 | Num_heavy_atoms: | 17 |
| TPSA: | 64.6 | NumAromaticRings: | 1 |
