Glycoside
GD026325
Name:
NoneFormula:
C25H22O5N3ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4ccc5ccccc5n4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2ccc3ccccc3n2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 499.98 | Num_heavy_atoms: | 34 |
| TPSA: | 128.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD17357
Formula: C19H12N3ClS
Smiles:
Clc1ccccc1Cc1nnc(-c2ccc3ccccc3n2)s1| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 337.84 | Num_heavy_atoms: | 23 |
| TPSA: | 38.67 | NumAromaticRings: | 4 |
