Glycoside
GD005994
Name:
NoneFormula:
C22H23O7N5S2Smiles:
COc1cccc2cc(CSc3nc(N)nc4c3nc(SC)n4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(=O)oc12Aglycone:
COc1cccc2cc(CSc3nc(N)nc4c3N=C(SC)[N]4)c(=O)oc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 533.59 | Num_heavy_atoms: | 36 |
| TPSA: | 178.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD05001
Formula: C17H14O3N5S2
Smiles:
COc1cccc2cc(CSc3nc(N)nc4c3N=C(SC)[N]4)c(=O)oc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.47 | Num_heavy_atoms: | 27 |
| TPSA: | 117.7 | NumAromaticRings: | 3 |
