Glycoside
GD011344
Name:
NoneFormula:
C28H27O7N5S2Smiles:
COc1ccc2oc(=O)c(CSc3nc(N)nc4c3nc(SCc3ccccc3)n4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2c1Aglycone:
COc1ccc2oc(=O)c(CSc3nc(N)nc4c3N=C(SCc3ccccc3)[N]4)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 609.69 | Num_heavy_atoms: | 42 |
| TPSA: | 178.98 | NumAromaticRings: | 5 |
Unique Aglycone
AD08682
Formula: C23H18O3N5S2
Smiles:
COc1ccc2oc(=O)c(CSc3nc(N)nc4c3N=C(SCc3ccccc3)[N]4)cc2c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.56 | Num_heavy_atoms: | 33 |
| TPSA: | 117.7 | NumAromaticRings: | 4 |
