Glycoside
GD087476
Name:
NoneFormula:
C17H21O11NSSmiles:
Cc1ccc2oc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc(=O)c2c1Aglycone:
COS(O)(O)O.Cc1ccc2oc(C(N)=O)cc(=O)c2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 447.42 | Num_heavy_atoms: | 30 |
| TPSA: | 199.15 | NumAromaticRings: | 2 |
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 |
AD38454
Formula: C11H9O3N
Smiles:
Cc1ccc2oc(C(N)=O)cc(=O)c2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 203.2 | Num_heavy_atoms: | 15 |
| TPSA: | 73.3 | NumAromaticRings: | 2 |
