Glycoside
GD145083
Name:
{4-[hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)oxolan-3-yl}methyl acetateFormula:
C28H36O13Smiles:
COc1cc(C(O)C2COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2COC(C)=O)ccc1OAglycone:
COc1cc(C(O)C2COC(c3ccc(O)c(OC)c3)C2COC(C)=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 580.58 | Num_heavy_atoms: | 41 |
| TPSA: | 193.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD58260
Formula: C22H26O8
Smiles:
COc1cc(C(O)C2COC(c3ccc(O)c(OC)c3)C2COC(C)=O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 114.68 | NumAromaticRings: | 2 |
