Glycoside
GD023904
Name:
5'-DeoxytoyocamycinFormula:
C12H13O3N5Smiles:
C[C@@H]1O[C@H](n2cc(C#N)c3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
N#CC1=C[N]c2ncnc(N)c21Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 275.27 | Num_heavy_atoms: | 20 |
| TPSA: | 130.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD02688
Formula: C7H4N5
Smiles:
N#CC1=C[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 89.69 | NumAromaticRings: | 1 |
