Glycoside
GD096938
Name:
NoneFormula:
C17H22O9N2S2Smiles:
O=C(CSc1ccc2ccccc2n1)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)CSc1ccc2ccccc2n1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.5 | Num_heavy_atoms: | 30 |
| TPSA: | 181.83 | 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 |
AD41205
Formula: C11H10ON2S
Smiles:
NC(=O)CSc1ccc2ccccc2n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.28 | Num_heavy_atoms: | 15 |
| TPSA: | 55.98 | NumAromaticRings: | 2 |
