Glycoside
GD029897
Name:
NoneFormula:
C22H21O5N2ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4ccccc4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2ccccc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.93 | Num_heavy_atoms: | 30 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD19394
Formula: C16H11N2ClS
Smiles:
Clc1ccccc1Cc1nnc(-c2ccccc2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.79 | Num_heavy_atoms: | 19 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
