Glycoside
GD129870
Name:
2-{[4-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H28O11Smiles:
COc1ccc(C2COc3cc(OC4OC(CO)C(O)C(O)C4O)ccc3C2O)c(O)c1OCAglycone:
COc1ccc(C2COc3cc(O)ccc3C2O)c(O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD52614
Formula: C17H18O6
Smiles:
COc1ccc(C2COc3cc(O)ccc3C2O)c(O)c1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
