Glycoside
GD132077
Name:
2-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3a,6a-dihydroxy-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H46O20Smiles:
COc1cc(C2OCC3(O)C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23O)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2OCC3(O)C(c4cc(OC)c(O)c(OC)c4)OCC23O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.65 |
| AlogP: | -3.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 774.72 | Num_heavy_atoms: | 54 |
| TPSA: | 294.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD53471
Formula: C22H26O10
Smiles:
COc1cc(C2OCC3(O)C(c4cc(OC)c(O)c(OC)c4)OCC23O)cc(OC)c1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 136.3 | NumAromaticRings: | 2 |
