Glycoside
GD080006
Name:
NoneFormula:
C13H19O9N2ClSSmiles:
COc1cc(Cl)cnc1N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.COc1cc(Cl)cnc1NSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.81 | Num_heavy_atoms: | 25 |
| TPSA: | 173.99 | 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 |
AD26412
Formula: C7H7ON2Cl
Smiles:
COc1cc(Cl)cnc1N| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.59 | Num_heavy_atoms: | 10 |
| TPSA: | 48.14 | NumAromaticRings: | 1 |
