Glycoside
GD096287
Name:
NoneFormula:
C20H21O8N3SSmiles:
O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cccc2nccnc12Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1cccc2nccnc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.47 | Num_heavy_atoms: | 32 |
| TPSA: | 171.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD40948
Formula: C14H11O3N3S
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1cccc2nccnc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.33 | Num_heavy_atoms: | 21 |
| TPSA: | 92.18 | NumAromaticRings: | 3 |
