Glycoside
GD087795
Name:
NoneFormula:
C17H23O8N3SSmiles:
CCn1cc(S(=O)(=O)Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cn1Aglycone:
CCn1cc(S(=O)(=O)Nc2ccc(O)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 429.45 | Num_heavy_atoms: | 29 |
| TPSA: | 163.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD38507
Formula: C11H13O3N3S
Smiles:
CCn1cc(S(=O)(=O)Nc2ccc(O)cc2)cn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 267.31 | Num_heavy_atoms: | 18 |
| TPSA: | 84.22 | NumAromaticRings: | 2 |
