Glycoside
GD134637
Name:
methyl 16-(2,2-dimethoxyethyl)-6-ethenyl-5-methyl-2-oxo-11,13-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3,10,14-trioxatricyclo[10.3.1.1â´,â·]heptadeca-1(15),8-diene-8-carboxylateFormula:
C35H52O20Smiles:
C=CC1C2CC(OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C(C(OC4OC(CO)C(O)C(O)C4O)OC=C2C(=O)OC)C3CC(OC)OC)C1CAglycone:
C=CC1C2CC(OC(=O)C3=COC(O)C(C(O)OC=C2C(=O)OC)C3CC(OC)OC)C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 792.78 | Num_heavy_atoms: | 55 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD54460
Formula: C23H32O10
Smiles:
C=CC1C2CC(OC(=O)C3=COC(O)C(C(O)OC=C2C(=O)OC)C3CC(OC)OC)C1C| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.5 | Num_heavy_atoms: | 33 |
| TPSA: | 129.98 | NumAromaticRings: | 0 |
