Glycoside
GD014400
Name:
NoneFormula:
C21H20O6N4SSmiles:
Cc1ccc2oc(=O)c(CSc3nc4cncnc4n3[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2c1Aglycone:
Cc1ccc2oc(=O)c(CSC3=Nc4cncnc4[N]3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.48 | Num_heavy_atoms: | 32 |
| TPSA: | 143.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD01262
Formula: C16H11O2N4S
Smiles:
Cc1ccc2oc(=O)c(CSC3=Nc4cncnc4[N]3)cc2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 323.36 | Num_heavy_atoms: | 23 |
| TPSA: | 82.45 | NumAromaticRings: | 3 |
