Glycoside
GD035355
Name:
NoneFormula:
C17H20O7N2SSmiles:
O=C(O)[C@@H]1O[C@H](Oc2ccc([C@@H]3CN4CCSC4=N3)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C2CN3CCSC3=N2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.42 | Num_heavy_atoms: | 27 |
| TPSA: | 132.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD22377
Formula: C11H12ON2S
Smiles:
Oc1ccc(C2CN3CCSC3=N2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.3 | Num_heavy_atoms: | 15 |
| TPSA: | 35.83 | NumAromaticRings: | 1 |
