Glycoside
GD080343
Name:
NoneFormula:
C16H24O9N2SSmiles:
O=C(CN1CCc2ccccc21)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.NC(=O)CN1CCc2ccccc21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.44 | Num_heavy_atoms: | 28 |
| TPSA: | 172.18 | 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 |
AD28944
Formula: C10H12ON2
Smiles:
NC(=O)CN1CCc2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 176.22 | Num_heavy_atoms: | 13 |
| TPSA: | 46.33 | NumAromaticRings: | 1 |
