Glycoside
GD012700
Name:
NoneFormula:
C24H34O7N5SBrSmiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1Aglycone:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCO)c2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 14 |
| MolWt: | 616.54 | Num_heavy_atoms: | 38 |
| TPSA: | 178.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD09549
Formula: C18H24O2N5SBr
Smiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCO)c2n1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 454.39 | Num_heavy_atoms: | 27 |
| TPSA: | 99.08 | NumAromaticRings: | 3 |
