Glycoside
GD063601
Name:
NoneFormula:
C11H19O10NSSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C(=O)C1CC1Aglycone:
COS(O)(O)O.NC(=O)C(=O)C1CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 357.34 | Num_heavy_atoms: | 23 |
| TPSA: | 186.01 | 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 |
AD30617
Formula: C5H7O2N
Smiles:
NC(=O)C(=O)C1CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
