Glycoside
GD035287
Name:
NoneFormula:
C22H32O13Smiles:
COc1cc(C=CCO)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)c1OCAglycone:
COc1cc(C=CCO)cc(O)c1OCSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 196.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD22337
Formula: C11H14O4
Smiles:
COc1cc(C=CCO)cc(O)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
