Glycoside
GD114233
Name:
2-{4-[4-(3,4-dihydroxy-5-methoxyphenyl)-3-hydroxy-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H32O13Smiles:
COc1cc(C2OC(O)C3C(c4cc(O)c(O)c(OC)c4)OCC23)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2OC(O)C3C(c4cc(O)c(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD44920
Formula: C20H22O8
Smiles:
COc1cc(C2OC(O)C3C(c4cc(O)c(O)c(OC)c4)OCC23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
