Glycoside
GD006541
Name:
NoneFormula:
C19H22O5N5ISmiles:
OC[C@H](Cc1ccccc1)Nc1nc(I)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
OCC(Cc1ccccc1)Nc1nc(I)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 527.32 | Num_heavy_atoms: | 30 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD05403
Formula: C14H13ON5I
Smiles:
OCC(Cc1ccccc1)Nc1nc(I)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.2 | Num_heavy_atoms: | 21 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
