Glycoside
GD155419
Name:
6-({4-benzyl-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)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C30H30O11Smiles:
COc1ccc2c(c1OC)OC1c3cc(Cc4ccccc4)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3cc(Cc4ccccc4)c(O)cc3OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.56 | Num_heavy_atoms: | 41 |
| TPSA: | 153.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD61659
Formula: C24H22O5
Smiles:
COc1ccc2c(c1OC)OC1c3cc(Cc4ccccc4)c(O)cc3OCC21| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.44 | Num_heavy_atoms: | 29 |
| TPSA: | 57.15 | NumAromaticRings: | 3 |
