Glycoside
GD158166
Name:
6-{4-[1,3-dihydroxy-2-(2-methoxy-4-{3-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]prop-1-en-1-yl}phenoxy)propyl]-2-methoxyphenoxy}oxane-2,3,4,5-tetrolFormula:
C30H40O17Smiles:
COc1cc(C=CCOC2OC(O)C(O)C(O)C2O)ccc1OC(CO)C(O)c1ccc(OC2OC(O)C(O)C(O)C2O)c(OC)c1Aglycone:
COc1cc(C(O)C(CO)Oc2ccc(C=CCO)cc2OC)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 13 |
| MolWt: | 672.63 | Num_heavy_atoms: | 47 |
| 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 |
