Glycoside
GD009216
Name:
NoneFormula:
C21H25O5N2ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(C4CCCC4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(C2CCCC2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.95 | Num_heavy_atoms: | 29 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD07248
Formula: C15H15N2ClS
Smiles:
Clc1ccccc1Cc1nnc(C2CCCC2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.81 | Num_heavy_atoms: | 18 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
