Glycoside
GD098725
Name:
NoneFormula:
C14H17O5N6ISmiles:
O=C(Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NC1CC1Aglycone:
O=C(Nc1nc(I)nc2c1N=C[N]2)NC1CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.23 | Num_heavy_atoms: | 26 |
| TPSA: | 154.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD41996
Formula: C9H8ON6I
Smiles:
O=C(Nc1nc(I)nc2c1N=C[N]2)NC1CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 343.11 | Num_heavy_atoms: | 17 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
