Glycoside
GD098622
Name:
NoneFormula:
C21H26O8N2SSmiles:
COc1ccc(CSc2ncccc2C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(OC)c1Aglycone:
COc1ccc(CSc2ncccc2C(N)=O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 466.51 | Num_heavy_atoms: | 32 |
| TPSA: | 150.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD41945
Formula: C15H16O3N2S
Smiles:
COc1ccc(CSc2ncccc2C(N)=O)c(OC)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 304.37 | Num_heavy_atoms: | 21 |
| TPSA: | 74.44 | NumAromaticRings: | 2 |
