Glycoside
GD101247
Name:
NoneFormula:
C16H19O4N6ISmiles:
Cc1n[nH]c(C)c1Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1n[nH]c(C)c1Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.27 | Num_heavy_atoms: | 27 |
| TPSA: | 141.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD42822
Formula: C11H10N6I
Smiles:
Cc1n[nH]c(C)c1Nc1ncnc2c1C(I)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 353.15 | Num_heavy_atoms: | 18 |
| TPSA: | 80.59 | NumAromaticRings: | 2 |
