Glycoside
GD121553
Name:
3,4,5-trihydroxy-6-{[9-hydroxy-14,15-dimethoxy-3-(propan-2-yl)-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl]oxy}oxane-2-carboxylic acidFormula:
C26H30O12Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3C(C)C)OC(O)C21Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3C(C)C)OC(O)C21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD48936
Formula: C20H22O6
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3C(C)C)OC(O)C21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
