Glycoside
GD130396
Name:
6-(3-{[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoyl]oxy}-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C29H36O16Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CC(=O)OCC(O)COC3OC(C(=O)O)C(O)C(O)C3O)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2ccc(C=CC(=O)OCC(O)CO)cc2OC)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 15 |
| MolWt: | 640.59 | Num_heavy_atoms: | 45 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD52843
Formula: C23H28O10
Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CC(=O)OCC(O)CO)cc2OC)ccc1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 12 |
| MolWt: | 464.47 | Num_heavy_atoms: | 33 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
