Glycoside
GD033976
Name:
NoneFormula:
C32H23O8N5Cl2S2Smiles:
Nc1nc(SCc2cc3cc(Cl)ccc3oc2=O)c2nc(SCc3cc4cc(Cl)ccc4oc3=O)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(SCc3cc4cc(Cl)ccc4oc3=O)n1)N=C(SCc1cc3cc(Cl)ccc3oc1=O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 716.58 | Num_heavy_atoms: | 47 |
| TPSA: | 199.96 | NumAromaticRings: | 6 |
Unique Aglycone
AD21648
Formula: C27H14O4N5Cl2S2
Smiles:
Nc1nc2c(c(SCc3cc4cc(Cl)ccc4oc3=O)n1)N=C(SCc1cc3cc(Cl)ccc3oc1=O)[N]2| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 583.46 | Num_heavy_atoms: | 38 |
| TPSA: | 138.68 | NumAromaticRings: | 5 |
