Glycoside
GD005167
Name:
NoneFormula:
C22H27O5N2ClSSmiles:
OC[C@@H]1OC(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: | 0.62 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.98 | Num_heavy_atoms: | 30 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD04414
Formula: C16H17N2ClS
Smiles:
Clc1ccccc1Cc1nnc(C2CCCCC2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.47 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.83 | Num_heavy_atoms: | 19 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
