Glycoside
GD121405
Name:
2-(2-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-5-(3-hydroxyprop-1-en-1-yl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H32O12Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CCO)cc2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2ccc(C=CCO)cc2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 11 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 198.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD48868
Formula: C19H22O7
Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CCO)cc2O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 119.61 | NumAromaticRings: | 2 |
