Glycoside
GD082822
Name:
NoneFormula:
C16H21O8N3SSmiles:
Cc1ccc(S(=O)(=O)OCc2cn(C[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)nn2)cc1Aglycone:
Cc1ccc(S(=O)(=O)OCc2cn(C)nn2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.42 | Num_heavy_atoms: | 28 |
| TPSA: | 164.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD37111
Formula: C11H13O3N3S
Smiles:
Cc1ccc(S(=O)(=O)OCc2cn(C)nn2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 267.31 | Num_heavy_atoms: | 18 |
| TPSA: | 74.08 | NumAromaticRings: | 2 |
