Glycoside
GD136124
Name:
2-{[2-(2H-1,3-benzodioxol-5-yl)-4-[(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]oxolan-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H30O12Smiles:
OCC1OC(OCC2C(c3ccc4c(c3)OCO4)OCC2C(O)c2ccc3c(c2)OCO3)C(O)C(O)C1OAglycone:
OCC1C(c2ccc3c(c2)OCO3)OCC1C(O)c1ccc2c(c1)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 165.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD55023
Formula: C20H20O7
Smiles:
OCC1C(c2ccc3c(c2)OCO3)OCC1C(O)c1ccc2c(c1)OCO2| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 86.61 | NumAromaticRings: | 2 |
