Glycoside
GD016167
Name:
NoneFormula:
C17H27O5N7SSmiles:
CSCC[C@H](N)C(=O)N(O)C[C@@H]1O[C@H](CCn2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCn1cnc2c(N)ncnc21.CSCCC(N)C(=O)N(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 441.51 | Num_heavy_atoms: | 30 |
| TPSA: | 185.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD04463
Formula: C6H14O2N2S
Smiles:
CSCCC(N)C(=O)N(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 178.26 | Num_heavy_atoms: | 11 |
| TPSA: | 66.56 | NumAromaticRings: | 0 |
AD06498
Formula: C7H9N5
Smiles:
CCn1cnc2c(N)ncnc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.18 | Num_heavy_atoms: | 12 |
| TPSA: | 69.62 | NumAromaticRings: | 2 |
