Glycoside
GD120322
Name:
2-[(2-{[2-(2H-1,3-benzodioxol-5-yl)-4-(2H-1,3-benzodioxole-5-carbonyl)oxolan-3-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H38O17Smiles:
O=C(c1ccc2c(c1)OCO2)C1COC(c2ccc3c(c2)OCO3)C1COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(c1ccc2c(c1)OCO2)C1COC(c2ccc3c(c2)OCO3)C1COSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 694.64 | Num_heavy_atoms: | 49 |
| TPSA: | 241.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD48326
Formula: C20H18O7
Smiles:
O=C(c1ccc2c(c1)OCO2)C1COC(c2ccc3c(c2)OCO3)C1CO| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
