Glycoside
GD091880
Name:
NoneFormula:
C19H24O8N2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(Oc3ccccn3)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc(Oc2ccccn2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 440.47 | Num_heavy_atoms: | 30 |
| TPSA: | 147.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD40072
Formula: C13H14O4N2S
Smiles:
O=S(=O)(NCCO)c1ccc(Oc2ccccn2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 294.33 | Num_heavy_atoms: | 20 |
| TPSA: | 88.52 | NumAromaticRings: | 2 |
