Glycoside
GD033573
Name:
NoneFormula:
C20H22O4N8S2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCNC(=S)Nc4ccc(N=C=S)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
S=C=Nc1ccc(NC(=S)NCCNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 502.58 | Num_heavy_atoms: | 34 |
| TPSA: | 161.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD21415
Formula: C15H13N8S2
Smiles:
S=C=Nc1ccc(NC(=S)NCCNc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 369.46 | Num_heavy_atoms: | 25 |
| TPSA: | 100.69 | NumAromaticRings: | 2 |
