Glycoside
GD008261
Name:
NoneFormula:
C19H19O4N5S2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(CCSc4nc5ccccc5s4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(CCSc3nc4ccccc4s3)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 445.53 | Num_heavy_atoms: | 30 |
| TPSA: | 126.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD06619
Formula: C14H10N5S2
Smiles:
C1=Nc2c(CCSc3nc4ccccc4s3)ncnc2[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 312.4 | Num_heavy_atoms: | 21 |
| TPSA: | 65.13 | NumAromaticRings: | 3 |
