Glycoside
GD099132
Name:
NoneFormula:
C18H19O8N3S2Smiles:
O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cccc2nonc12Aglycone:
O=S(=O)(Nc1ccc(S)cc1)c1cccc2nonc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.5 | Num_heavy_atoms: | 31 |
| TPSA: | 175.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD42198
Formula: C12H9O3N3S2
Smiles:
O=S(=O)(Nc1ccc(S)cc1)c1cccc2nonc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.36 | Num_heavy_atoms: | 20 |
| TPSA: | 85.09 | NumAromaticRings: | 3 |
