Glycoside
GD151522
Name:
2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C34H46O18Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)c(OC)c4)OCC23)cc(OC)c1OAglycone:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 12 |
| MolWt: | 742.72 | Num_heavy_atoms: | 52 |
| TPSA: | 254.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD02930
Formula: C22H26O8
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
