Glycoside
GD121797
Name:
3,4,5-trihydroxy-6-{[9-hydroxy-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:
C29H28O13Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3-c3cccc(O)c3)OC(O)C21Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3cccc(O)c3)OC(O)C21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.34 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 584.53 | Num_heavy_atoms: | 42 |
| TPSA: | 193.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD49045
Formula: C23H20O7
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3cccc(O)c3)OC(O)C21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.41 | Num_heavy_atoms: | 30 |
| TPSA: | 97.61 | NumAromaticRings: | 3 |
