Glycoside
GD024305
Name:
NoneFormula:
C23H25O6NSSmiles:
OC[C@@H]1O[C@H](c2ccc(C3CC3)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1coc(-c2cnc(Cc3ccccc3C3CC3)s2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.52 | Num_heavy_atoms: | 31 |
| TPSA: | 116.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD16235
Formula: C17H15ONS
Smiles:
c1coc(-c2cnc(Cc3ccccc3C3CC3)s2)c1| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.24 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.38 | Num_heavy_atoms: | 20 |
| TPSA: | 26.03 | NumAromaticRings: | 3 |
