Glycoside
GD022117
Name:
NoneFormula:
C21H20O5N3ClSSmiles:
OC[C@@H]1OC(c2ccc(Cl)c(Cc3nnc(-c4cccnc4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2cccnc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 449.92 | Num_heavy_atoms: | 30 |
| TPSA: | 128.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD15029
Formula: C15H10N3ClS
Smiles:
Clc1ccccc1Cc1nnc(-c2cccnc2)s1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 287.77 | Num_heavy_atoms: | 19 |
| TPSA: | 38.67 | NumAromaticRings: | 3 |
