Glycoside
GD012794
Name:
NoneFormula:
C21H24O5NClSSmiles:
CC=C(C)c1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
CC=C(C)c1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.93 | Num_heavy_atoms: | 28 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD09608
Formula: C15H14NClS
Smiles:
CC=C(C)c1cnc(Cc2ccccc2Cl)s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 263.79 | Num_heavy_atoms: | 17 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
