Glycoside
GD019846
Name:
2-{4-[3a-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H32O12Smiles:
COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1OAglycone:
COc1cc(C2OCC3(O)C(c4ccc(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.22 | 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 |
