Glycoside
GD097441
Name:
NoneFormula:
C20H22O7N4SSmiles:
COc1cccn2c(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)nnc12Aglycone:
COc1cccn2c(C(=O)Nc3ccc(S)cc3)nnc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.48 | Num_heavy_atoms: | 32 |
| TPSA: | 158.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD41440
Formula: C14H12O2N4S
Smiles:
COc1cccn2c(C(=O)Nc3ccc(S)cc3)nnc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.34 | Num_heavy_atoms: | 21 |
| TPSA: | 68.52 | NumAromaticRings: | 3 |
