Glycoside
GD075642
Name:
NoneFormula:
C13H24O8N3SSmiles:
CN(C)c1cccc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)[nH+]1Aglycone:
CN(C)c1cccc(N)[nH+]1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.41 | Num_heavy_atoms: | 25 |
| TPSA: | 169.25 | 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 |
AD35046
Formula: C7H12N3
Smiles:
CN(C)c1cccc(N)[nH+]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.19 | Num_heavy_atoms: | 10 |
| TPSA: | 43.4 | NumAromaticRings: | 1 |
