Glycoside
GD001981
Name:
NoneFormula:
C21H27O5N5SSmiles:
CCSc1nc(NCCc2ccc(OC)cc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CCSc1nc2c(c(NCCc3ccc(OC)cc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 461.54 | Num_heavy_atoms: | 32 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD01928
Formula: C16H18ON5S
Smiles:
CCSc1nc2c(c(NCCc3ccc(OC)cc3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 328.42 | Num_heavy_atoms: | 23 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
