Glycoside
GD122565
Name:
3-(4-{[1,3-dihydroxy-1-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acidFormula:
C26H32O13Smiles:
COc1cc(C=CC(=O)O)ccc1OC(CO)C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(C(O)C(CO)Oc2ccc(C=CC(=O)O)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 12 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD49401
Formula: C20H22O8
Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C=CC(=O)O)cc2OC)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
