Glycoside
GD076976
Name:
NoneFormula:
C14H19O4N5S2Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCC4SCCS4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCC2SCCS2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 385.47 | Num_heavy_atoms: | 25 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD35346
Formula: C9H10N5S2
Smiles:
C1=Nc2c(ncnc2NCC2SCCS2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.35 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
