Glycoside
GD033335
Name:
NoneFormula:
C15H18O9NS2Smiles:
O=S(=O)([O-])ON=C(C=Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=S(=O)([O-])ON=C(S)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.44 | Num_heavy_atoms: | 27 |
| TPSA: | 168.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD21290
Formula: C9H8O4NS2
Smiles:
O=S(=O)([O-])ON=C(S)C=Cc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.3 | Num_heavy_atoms: | 16 |
| TPSA: | 78.79 | NumAromaticRings: | 1 |
