Glycoside
GD001573
Name:
NoneFormula:
C21H20O7N4SSmiles:
COc1cccc2cc(CSc3nc4cncnc4n3[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(=O)oc12Aglycone:
COc1cccc2cc(CSC3=Nc4cncnc4[N]3)c(=O)oc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.48 | Num_heavy_atoms: | 33 |
| TPSA: | 152.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD01565
Formula: C16H11O3N4S
Smiles:
COc1cccc2cc(CSC3=Nc4cncnc4[N]3)c(=O)oc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 339.36 | Num_heavy_atoms: | 24 |
| TPSA: | 91.68 | NumAromaticRings: | 3 |
