Glycoside
GD079654
Name:
NoneFormula:
C14H19O11NSSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc2c(c1)OCO2Aglycone:
COS(O)(O)O.NC(=O)c1ccc2c(c1)OCO2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.37 | Num_heavy_atoms: | 27 |
| 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 |
AD27580
Formula: C8H7O3N
Smiles:
NC(=O)c1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.15 | Num_heavy_atoms: | 12 |
| TPSA: | 61.55 | NumAromaticRings: | 1 |
