Glycoside
GD033118
Name:
NoneFormula:
C26H38O7N5SBrSmiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1Aglycone:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCO)c2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 16 |
| MolWt: | 644.59 | Num_heavy_atoms: | 40 |
| TPSA: | 178.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD21167
Formula: C20H28O2N5SBr
Smiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCO)c2n1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 13 |
| MolWt: | 482.45 | Num_heavy_atoms: | 29 |
| TPSA: | 99.08 | NumAromaticRings: | 3 |
