Glycoside
GD091747
Name:
NoneFormula:
C14H16O5N3ISmiles:
O[C@H]1O[C@H](Cn2cc(-c3ccc(I)cc3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(-c2ccc(I)cc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 433.2 | Num_heavy_atoms: | 23 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD40020
Formula: C9H8N3I
Smiles:
Cn1cc(-c2ccc(I)cc2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 285.09 | Num_heavy_atoms: | 13 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
