Glycoside
GD063587
Name:
NoneFormula:
C11H21O11NSSmiles:
CCOC(=O)CC(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CCOC(=O)CC(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 375.35 | 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 |
AD30611
Formula: C5H9O3N
Smiles:
CCOC(=O)CC(N)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.13 | Num_heavy_atoms: | 9 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
