Glycoside
GD094590
Name:
NoneFormula:
C16H25O11N3SSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1cnc(=O)n(C2CCOCC2)c1Aglycone:
COS(O)(O)O.NC(=O)c1cnc(=O)n(C2CCOCC2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.45 | Num_heavy_atoms: | 31 |
| TPSA: | 213.06 | NumAromaticRings: | 1 |
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 |
AD34767
Formula: C10H13O3N3
Smiles:
NC(=O)c1cnc(=O)n(C2CCOCC2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.23 | Num_heavy_atoms: | 16 |
| TPSA: | 87.21 | NumAromaticRings: | 1 |
