Glycoside
GD034830
Name:
NoneFormula:
C23H22O6NClSSmiles:
O[C@H]1[C@H](O)[C@@H](O)[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)O[C@H]1C1(O)CC1Aglycone:
Clc1ccccc1Cc1ncc(-c2ccco2)s1Sugarmoiety:
OC1OC(C2(O)CC2)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.94 | Num_heavy_atoms: | 31 |
| TPSA: | 116.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD02224
Formula: C15H10ONClS
Smiles:
Clc1ccccc1Cc1ncc(-c2ccco2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.76 | Num_heavy_atoms: | 18 |
| TPSA: | 26.03 | NumAromaticRings: | 3 |
