Glycoside
GD087833
Name:
NoneFormula:
C17H23O11NSSmiles:
CC(=O)Oc1ccc(/C=C/C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)Oc1ccc(C=CC(N)=O)cc1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.43 | Num_heavy_atoms: | 30 |
| TPSA: | 195.24 | 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 |
AD38520
Formula: C11H11O3N
Smiles:
CC(=O)Oc1ccc(C=CC(N)=O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 205.21 | Num_heavy_atoms: | 15 |
| TPSA: | 69.39 | NumAromaticRings: | 1 |
