Glycoside
GD020373
Name:
NoneFormula:
C17H24O5N6SSmiles:
Nc1ccn([C@@H]2O[C@H](CNCc3cnc(N4CCOCC4)s3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNCc1cnc(N2CCOCC2)s1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.48 | Num_heavy_atoms: | 29 |
| TPSA: | 147.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03870
Formula: C9H15ON3S
Smiles:
CNCc1cnc(N2CCOCC2)s1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 213.31 | Num_heavy_atoms: | 14 |
| TPSA: | 37.39 | NumAromaticRings: | 1 |
