Glycoside
GD124297
Name:
2,2-bis(4-hydroxy-3-methoxyphenyl)-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,4-dihydro-1,3-dioxin-4-oneFormula:
C25H28O13Smiles:
COc1cc(C2(c3ccc(O)c(OC)c3)OC=C(COC3OC(CO)C(O)C(O)C3O)C(=O)O2)ccc1OAglycone:
COc1cc(C2(c3ccc(O)c(OC)c3)OC=C(CO)C(=O)O2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 193.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD50205
Formula: C19H18O8
Smiles:
COc1cc(C2(c3ccc(O)c(OC)c3)OC=C(CO)C(=O)O2)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 114.68 | NumAromaticRings: | 2 |
