Glycoside
GD157564
Name:
2-{4-[4-hydroxy-3-(hydroxymethyl)-4-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]oxolan-2-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H44O17Smiles:
COc1cc(CC2(O)COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CC2(O)COC(c3ccc(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -3.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 700.69 | Num_heavy_atoms: | 49 |
| TPSA: | 266.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD02551
Formula: C20H24O7
Smiles:
COc1cc(CC2(O)COC(c3ccc(O)c(OC)c3)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
