Glycoside
GD087472
Name:
NoneFormula:
C16H22O10N2SSmiles:
CN1C(=O)Cc2ccc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc21Aglycone:
CN1C(=O)Cc2ccc(C(N)=O)cc21.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.42 | Num_heavy_atoms: | 29 |
| TPSA: | 189.25 | 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 |
AD31561
Formula: C10H10O2N2
Smiles:
CN1C(=O)Cc2ccc(C(N)=O)cc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 190.2 | Num_heavy_atoms: | 14 |
| TPSA: | 63.4 | NumAromaticRings: | 1 |
