Glycoside
GD140672
Name:
4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 3-(3,4,5-trimethoxyphenyl)prop-2-enoateFormula:
C29H42O19Smiles:
COc1cc(C=CC(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C3O)C2O)cc(OC)c1OCAglycone:
COc1cc(C=CC(=O)O)cc(OC)c1OCSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(COC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -4.64 | Num_rotatable_bonds: | 13 |
| MolWt: | 694.64 | Num_heavy_atoms: | 48 |
| TPSA: | 282.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD17348
Formula: C12H14O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
