Glycoside
GD114213
Name:
2-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H38O17Smiles:
OCC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1OAglycone:
OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.76 |
| AlogP: | -5.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 610.56 | Num_heavy_atoms: | 42 |
| TPSA: | 277.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
