Glycoside
GD126443
Name:
2-(4-{1,3-dihydroxy-2-[2-methoxy-4-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-1-yl)phenoxy]propyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H44O17Smiles:
COc1cc(C=CCOC2OC(CO)C(O)C(O)C2O)ccc1OC(CO)C(O)c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(C(O)C(CO)Oc2ccc(C=CCO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 15 |
| MolWt: | 700.69 | Num_heavy_atoms: | 49 |
| TPSA: | 266.91 | 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 |
