Glycoside
GD016541
Name:
NoneFormula:
C21H21O5N2ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(-n4cccn4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc(-n2cccn2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 436.92 | Num_heavy_atoms: | 29 |
| TPSA: | 107.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD11895
Formula: C15H11N2ClS
Smiles:
Clc1ccccc1Cc1ccc(-n2cccn2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.78 | Num_heavy_atoms: | 18 |
| TPSA: | 17.82 | NumAromaticRings: | 3 |
