Glycoside
GD140886
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)-6-{[3-(3-hydroxyphenyl)-14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl]oxy}oxane-2-carboxylic acidFormula:
C30H30O13Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4(CO)OC(C(=O)O)C(O)C(O)C4O)cc3-c3cccc(O)c3)OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3cccc(O)c3)OCC21Sugarmoiety:
O=C(O)C1OC(O)(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.56 | Num_heavy_atoms: | 43 |
| TPSA: | 193.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD48354
Formula: C23H20O6
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3cccc(O)c3)OCC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 392.41 | Num_heavy_atoms: | 29 |
| TPSA: | 77.38 | NumAromaticRings: | 3 |
