Glycoside
GD032094
Name:
6-O-VeratroylcatalpolFormula:
C24H30O13Smiles:
COc1ccc(C(=O)O[C@H]2[C@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3[C@]3(CO)O[C@@H]23)cc1OCAglycone:
COc1ccc(C(=O)OC2C3C=COC(O)C3C3(CO)OC23)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 526.49 | Num_heavy_atoms: | 37 |
| TPSA: | 186.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD20610
Formula: C18H20O8
Smiles:
COc1ccc(C(=O)OC2C3C=COC(O)C3C3(CO)OC23)cc1OC| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 106.98 | NumAromaticRings: | 1 |
