Glycoside
GD114587
Name:
methyl 2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-carboxylateFormula:
C25H28O12Smiles:
COC(=O)c1cc(OC)c2c(c1)C(COC1OC(CO)C(O)C(O)C1O)C(c1ccc3c(c1)OCO3)O2Aglycone:
COC(=O)c1cc(OC)c2c(c1)C(CO)C(c1ccc3c(c1)OCO3)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.49 | Num_heavy_atoms: | 37 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD45149
Formula: C19H18O7
Smiles:
COC(=O)c1cc(OC)c2c(c1)C(CO)C(c1ccc3c(c1)OCO3)O2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
