Glycoside
GD079714
Name:
NoneFormula:
C15H20O10N2SSmiles:
Cc1nc2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2o1Aglycone:
COS(O)(O)O.Cc1nc2ccc(C(N)=O)cc2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.4 | Num_heavy_atoms: | 28 |
| TPSA: | 194.97 | NumAromaticRings: | 2 |
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 |
AD27576
Formula: C9H8O2N2
Smiles:
Cc1nc2ccc(C(N)=O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 69.12 | NumAromaticRings: | 2 |
