Glycoside
GD137937
Name:
2-{[2-({6-[4-(2H-1,3-benzodioxol-5-yl)-3a,6a-dimethyl-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-4-yl}oxy)-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H52O22Smiles:
CC12COC(c3cc4c(c(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)c3)OCO4)C1(C)COC2c1ccc2c(c1)OCO2Aglycone:
CC12COC(c3cc(O)c4c(c3)OCO4)C1(C)COC2c1ccc2c(c1)OCO2Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 884.83 | Num_heavy_atoms: | 62 |
| TPSA: | 313.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD55700
Formula: C22H22O7
Smiles:
CC12COC(c3cc(O)c4c(c3)OCO4)C1(C)COC2c1ccc2c(c1)OCO2| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 398.41 | Num_heavy_atoms: | 29 |
| TPSA: | 75.61 | NumAromaticRings: | 2 |
