Glycoside
GD079192
Name:
NoneFormula:
C16H21O10NSSmiles:
Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NS(O)(O)O)ccc12Aglycone:
Cc1cc(=O)oc2cc(O)ccc12.NS(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.41 | Num_heavy_atoms: | 28 |
| TPSA: | 182.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00685
Formula: C10H8O3
Smiles:
Cc1cc(=O)oc2cc(O)ccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
AD24861
Formula: H5O3NS
Smiles:
NS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 99.11 | Num_heavy_atoms: | 5 |
| TPSA: | 86.71 | NumAromaticRings: | 0 |
