Glycoside
GD097943
Name:
NoneFormula:
C15H19O5N6ISmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)/C=C(/C)I)c(=N)nc21Aglycone:
CC(I)=CC(=O)n1c(N)c2c(nc1=N)[N]C=N2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.26 | Num_heavy_atoms: | 27 |
| TPSA: | 161.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD41657
Formula: C9H8ON6I
Smiles:
CC(I)=CC(=O)n1c(N)c2c(nc1=N)[N]C=N2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 343.11 | Num_heavy_atoms: | 17 |
| TPSA: | 111.22 | NumAromaticRings: | 1 |
