Glycoside
GD024609
Name:
NoneFormula:
C28H42O7N5SBrSmiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCCCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1Aglycone:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCCCO)c2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 18 |
| MolWt: | 672.64 | Num_heavy_atoms: | 42 |
| TPSA: | 178.23 | NumAromaticRings: | 3 |
Unique Aglycone
AD16401
Formula: C22H32O2N5SBr
Smiles:
Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCCCO)c2n1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 15 |
| MolWt: | 510.5 | Num_heavy_atoms: | 31 |
| TPSA: | 99.08 | NumAromaticRings: | 3 |
