Glycoside
GD087051
Name:
NoneFormula:
C15H25O11NSSmiles:
CCOC(=O)[C@]12C[C@](C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)(C1)C2Aglycone:
CCOC(=O)C12CC(C(N)=O)(C1)C2.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 427.43 | Num_heavy_atoms: | 28 |
| 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 |
AD27852
Formula: C9H13O3N
Smiles:
CCOC(=O)C12CC(C(N)=O)(C1)C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
