Glycoside
GD151429
Name:
4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(6-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2H-1,3-benzodioxol-5-yl)methyl]oxolan-2-oneFormula:
C31H36O16Smiles:
O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1cc2c(cc1OC1OC(COC3OC(CO)C(O)C3O)C(O)C(O)C1O)OCO2Aglycone:
O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1cc2c(cc1O)OCO2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 664.61 | Num_heavy_atoms: | 47 |
| TPSA: | 221.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD54950
Formula: C20H18O7
Smiles:
O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1cc2c(cc1O)OCO2| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
