Glycoside
GD141318
Name:
6-({4-benzyl-9-hydroxy-14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C30H30O12Smiles:
COc1ccc2c(c1OC)OC1c3cc(Cc4ccccc4)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC(O)C21Aglycone:
COc1ccc2c(c1OC)OC1c3cc(Cc4ccccc4)c(O)cc3OC(O)C21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 582.56 | Num_heavy_atoms: | 42 |
| TPSA: | 173.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD56942
Formula: C24H22O6
Smiles:
COc1ccc2c(c1OC)OC1c3cc(Cc4ccccc4)c(O)cc3OC(O)C21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 406.43 | Num_heavy_atoms: | 30 |
| TPSA: | 77.38 | NumAromaticRings: | 3 |
