Glycoside
GD020325
Name:
NoneFormula:
C21H20O6N5S2BrSmiles:
CSc1nc2c(SCc3cc4cc(Br)ccc4oc3=O)nc(N)nc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CSC1=Nc2c(nc(N)nc2SCc2cc3cc(Br)ccc3oc2=O)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 582.46 | Num_heavy_atoms: | 35 |
| TPSA: | 169.75 | NumAromaticRings: | 4 |
Unique Aglycone
AD14048
Formula: C16H11O2N5S2Br
Smiles:
CSC1=Nc2c(nc(N)nc2SCc2cc3cc(Br)ccc3oc2=O)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 449.34 | Num_heavy_atoms: | 26 |
| TPSA: | 108.47 | NumAromaticRings: | 3 |
