Glycoside
GD031928
Name:
NoneFormula:
C20H19O6N2ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4ccco4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2ccco2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.89 | Num_heavy_atoms: | 29 |
| TPSA: | 129.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD20526
Formula: C14H9ON2ClS
Smiles:
Clc1ccccc1Cc1nnc(-c2ccco2)s1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.75 | Num_heavy_atoms: | 18 |
| TPSA: | 38.92 | NumAromaticRings: | 3 |
