Glycoside
GD002941
Name:
NoneFormula:
C16H18O5N4S2Smiles:
O[C@H]1[C@@H](O)C(Cn2cc(CSc3nc4ccccc4s3)nn2)O[C@@H](O)[C@@H]1OAglycone:
Cn1cc(CSc2nc3ccccc3s2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.48 | Num_heavy_atoms: | 27 |
| TPSA: | 133.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD02739
Formula: C11H10N4S2
Smiles:
Cn1cc(CSc2nc3ccccc3s2)nn1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.36 | Num_heavy_atoms: | 17 |
| TPSA: | 43.6 | NumAromaticRings: | 3 |
