Glycoside
GD004429
Name:
NoneFormula:
C16H23O5N7SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNCc3cnc(N4CCOCC4)s3)[C@H](O)[C@H]2O)n1Aglycone:
CNCc1cnc(N2CCOCC2)s1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.47 | Num_heavy_atoms: | 29 |
| TPSA: | 160.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
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 |
