Glycoside
GD097388
Name:
NoneFormula:
C20H23O6N5SSmiles:
Cc1cc2nnc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c(C)n2n1Aglycone:
Cc1cc2nnc(C(=O)Nc3ccc(S)cc3)c(C)n2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 461.5 | Num_heavy_atoms: | 32 |
| TPSA: | 162.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD41409
Formula: C14H13ON5S
Smiles:
Cc1cc2nnc(C(=O)Nc3ccc(S)cc3)c(C)n2n1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 299.36 | Num_heavy_atoms: | 21 |
| TPSA: | 72.18 | NumAromaticRings: | 3 |
