Glycoside
GD095262
Name:
NoneFormula:
C20H24O9N2SSmiles:
O=C(CCC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CCC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.48 | Num_heavy_atoms: | 32 |
| TPSA: | 175.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD40654
Formula: C14H14O4N2S
Smiles:
NC(=O)CCC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 306.34 | Num_heavy_atoms: | 21 |
| TPSA: | 99.23 | NumAromaticRings: | 2 |
