Glycoside
GD101297
Name:
NoneFormula:
C15H17O4N6ISmiles:
Cc1n[nH]cc1Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1n[nH]cc1Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.24 | Num_heavy_atoms: | 26 |
| TPSA: | 141.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD42860
Formula: C10H8N6I
Smiles:
Cc1n[nH]cc1Nc1ncnc2c1C(I)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 339.12 | Num_heavy_atoms: | 17 |
| TPSA: | 80.59 | NumAromaticRings: | 2 |
