Glycoside
GD009037
Name:
NoneFormula:
C19H18O5N3ClS2Smiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4cscn4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2cscn2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 455.94 | Num_heavy_atoms: | 29 |
| TPSA: | 128.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD07138
Formula: C13H8N3ClS2
Smiles:
Clc1ccccc1Cc1nnc(-c2cscn2)s1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.8 | Num_heavy_atoms: | 18 |
| TPSA: | 38.67 | NumAromaticRings: | 3 |
