Glycoside
GD007233
Name:
NoneFormula:
C17H17O3N4ISmiles:
C[C@@H]1O[C@H](n2cc(I)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
IC1=C[N]c2ncnc(Nc3ccccc3)c21Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 452.25 | Num_heavy_atoms: | 25 |
| TPSA: | 92.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD05904
Formula: C12H8N4I
Smiles:
IC1=C[N]c2ncnc(Nc3ccccc3)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 335.13 | Num_heavy_atoms: | 17 |
| TPSA: | 51.91 | NumAromaticRings: | 2 |
