Glycoside
GD094219
Name:
NoneFormula:
C17H30O12N2SSmiles:
CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1Aglycone:
CC(C)(C)OC(=O)N1CCC(=O)C(C(N)=O)C1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.5 | Num_heavy_atoms: | 32 |
| TPSA: | 215.55 | 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 |
AD36888
Formula: C11H18O4N2
Smiles:
CC(C)(C)OC(=O)N1CCC(=O)C(C(N)=O)C1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.27 | Num_heavy_atoms: | 17 |
| TPSA: | 89.7 | NumAromaticRings: | 0 |
