Glycoside
GD036047
Name:
NoneFormula:
C29H33O13ClSmiles:
CCOc1ccc(Cc2cc([C@@]34OC[C@](CO)(O3)[C@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1Aglycone:
CCOc1ccc(Cc2cc(C34OCC(CO)(O3)C(O)C(O)C4O)ccc2Cl)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 613.01 | Num_heavy_atoms: | 42 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD20361
Formula: C23H25O7Cl
Smiles:
CCOc1ccc(Cc2cc(C34OCC(CO)(O3)C(O)C(O)C4O)ccc2Cl)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.89 | Num_heavy_atoms: | 30 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
