Glycoside
GD063722
Name:
NoneFormula:
C11H19O11NSSmiles:
COC(=O)/C=C/C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COC(=O)C=CC(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 373.34 | Num_heavy_atoms: | 24 |
| TPSA: | 195.24 | NumAromaticRings: | 0 |
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 |
AD30653
Formula: C5H7O3N
Smiles:
COC(=O)C=CC(N)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 129.12 | Num_heavy_atoms: | 9 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
