Glycoside
GD131487
Name:
6-{4-[3a-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-5-(hydroxymethyl)oxane-2,3,4-triolFormula:
C26H32O12Smiles:
COc1cc(C2OCC3C(c4ccc(OC5OC(O)C(O)C(O)C5CO)c(OC)c4)OCC23O)ccc1OAglycone:
COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
OCC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 176.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD06998
Formula: C20H22O7
Smiles:
COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
