Glycoside
GD147049
Name:
2-{[2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H38O17Smiles:
OCC1OC(OC2C(Oc3cc4c(cc3C3OCC5C(c6ccc7c(c6)OCO7)OCC35)OCO4)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 694.64 | Num_heavy_atoms: | 49 |
| TPSA: | 233.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD14203
Formula: C20H18O7
Smiles:
Oc1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 75.61 | NumAromaticRings: | 2 |
