Glycoside
GD095710
Name:
NoneFormula:
C19H32O11N2SSmiles:
C#CC[C@]1(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CCCN1C(=O)OC(C)(C)CAglycone:
C#CCC1(C(N)=O)CCCN1C(=O)OC(C)(C)C.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.54 | Num_heavy_atoms: | 33 |
| TPSA: | 198.48 | 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 |
AD37124
Formula: C13H20O3N2
Smiles:
C#CCC1(C(N)=O)CCCN1C(=O)OC(C)(C)C| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.31 | Num_heavy_atoms: | 18 |
| TPSA: | 72.63 | NumAromaticRings: | 0 |
