Glycoside
GD131755
Name:
(5-methoxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoateFormula:
C25H32O13Smiles:
COc1ccc(C(=O)OCC23OC2C(OC)C2C=COC(OC4OC(CO)C(O)C(O)C4O)C23)cc1OCAglycone:
COc1ccc(C(=O)OCC23OC2C(OC)C2C=COC(O)C23)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 175.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD53364
Formula: C19H22O8
Smiles:
COc1ccc(C(=O)OCC23OC2C(OC)C2C=COC(O)C23)cc1OC| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 95.98 | NumAromaticRings: | 1 |
