Glycoside
GD014601
Name:
NoneFormula:
C27H27O7N6SBrSmiles:
Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@H](O)[C@H]5O)c4n3)c3cc(Br)ccc32)cc1Aglycone:
Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(N)c4c(n3)[N]C=N4)c3cc(Br)ccc32)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 659.52 | Num_heavy_atoms: | 42 |
| TPSA: | 187.84 | NumAromaticRings: | 5 |
Unique Aglycone
AD10715
Formula: C22H18O3N6SBr
Smiles:
Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(N)c4c(n3)[N]C=N4)c3cc(Br)ccc32)cc1| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.4 | Num_heavy_atoms: | 33 |
| TPSA: | 126.56 | NumAromaticRings: | 4 |
