Glycoside
GD137818
Name:
2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C20H30O13Smiles:
OCC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.7 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 478.45 | Num_heavy_atoms: | 33 |
| TPSA: | 218.99 | 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 |
