Glycoside
GD053160
Name:
NoneFormula:
C12H17O6N3SSmiles:
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)n1CAglycone:
CSc1nc(N)c(C=O)c(=O)n1CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 331.35 | Num_heavy_atoms: | 22 |
| TPSA: | 133.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD27241
Formula: C7H9O2N3S
Smiles:
CSc1nc(N)c(C=O)c(=O)n1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 199.23 | Num_heavy_atoms: | 13 |
| TPSA: | 77.98 | NumAromaticRings: | 1 |
