Glycoside
GD136839
Name:
1-[2-(3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-oneFormula:
C24H32O12Smiles:
C=C(COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)C1Cc2cc(C(C)=O)ccc2O1Aglycone:
C=C(CO)C1Cc2cc(C(C)=O)ccc2O1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.51 | Num_heavy_atoms: | 36 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD19232
Formula: C13H14O3
Smiles:
C=C(CO)C1Cc2cc(C(C)=O)ccc2O1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.25 | Num_heavy_atoms: | 16 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
