Glycoside
GD157017
Name:
2-{[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-en-1-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C31H42O16Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CCOC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2ccc(C=CCO)cc2OC)ccc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 15 |
| MolWt: | 670.66 | Num_heavy_atoms: | 47 |
| TPSA: | 246.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD14985
Formula: C20H24O7
Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CCO)cc2OC)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
