Glycoside
GD017013
Name:
NoneFormula:
C20H21O6NSSmiles:
OC[C@@H]1O[C@H](c2cccc(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc(Cc2ncc(-c3ccco3)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.46 | Num_heavy_atoms: | 28 |
| TPSA: | 116.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD12188
Formula: C14H11ONS
Smiles:
c1ccc(Cc2ncc(-c3ccco3)s2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 241.32 | Num_heavy_atoms: | 17 |
| TPSA: | 26.03 | NumAromaticRings: | 3 |
