Glycoside
GD102163
Name:
NoneFormula:
C17H19O6N2S2BrSmiles:
O=C(Cc1csc(Br)n1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
O=C(Cc1csc(Br)n1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.39 | Num_heavy_atoms: | 28 |
| TPSA: | 132.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD43235
Formula: C11H9ON2S2Br
Smiles:
O=C(Cc1csc(Br)n1)Nc1ccc(S)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.24 | Num_heavy_atoms: | 17 |
| TPSA: | 41.99 | NumAromaticRings: | 2 |
