Glycoside
GD086844
Name:
NoneFormula:
C17H25O11NSSmiles:
COc1cccc2c1OC[C@H](C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C2Aglycone:
COS(O)(O)O.COc1cccc2c1OCC(C(N)=O)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.45 | Num_heavy_atoms: | 30 |
| TPSA: | 187.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD38365
Formula: C11H13O3N
Smiles:
COc1cccc2c1OCC(C(N)=O)C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 207.23 | Num_heavy_atoms: | 15 |
| TPSA: | 61.55 | NumAromaticRings: | 1 |
