Glycoside
GD022755
Name:
NoneFormula:
C22H27O6N5SSmiles:
O=S(=O)(c1ccccc1)c1nc(NC2CCCCC2)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
O=S(=O)(c1ccccc1)c1nc2c(c(NC3CCCCC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.55 | Num_heavy_atoms: | 34 |
| TPSA: | 159.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD15387
Formula: C17H18O2N5S
Smiles:
O=S(=O)(c1ccccc1)c1nc2c(c(NC3CCCCC3)n1)N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.43 | Num_heavy_atoms: | 25 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
