Glycoside
GD116943
Name:
12-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,â·.0¹¹,¹â¶]octadeca-1(10),2(7),3,5,11,13,15,17-octaene-5-carbaldehydeFormula:
C26H24O10Smiles:
COc1cc2c(oc(=O)c3cc(C=O)cc(OC)c32)c2c(C3OC(C(C)O)C(O)C3O)ccc(O)c12Aglycone:
COc1cc2c(oc(=O)c3cc(C=O)cc(OC)c32)c2cccc(O)c12Sugarmoiety:
CC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.47 | Num_heavy_atoms: | 36 |
| TPSA: | 155.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD46541
Formula: C20H14O6
Smiles:
COc1cc2c(oc(=O)c3cc(C=O)cc(OC)c32)c2cccc(O)c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 350.33 | Num_heavy_atoms: | 26 |
| TPSA: | 85.97 | NumAromaticRings: | 4 |
