Glycoside
GD102397
Name:
NoneFormula:
C22H24O8N2SSmiles:
Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1Aglycone:
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.51 | Num_heavy_atoms: | 33 |
| TPSA: | 162.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD43336
Formula: C16H14O3N2S
Smiles:
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.37 | Num_heavy_atoms: | 22 |
| TPSA: | 86.19 | NumAromaticRings: | 3 |
