Glycoside
GD149607
Name:
2-{[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H28O11Smiles:
COc1cc(C2Oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(OC)c3CC2O)ccc1OAglycone:
COc1cc(C2Oc3cc(O)cc(OC)c3CC2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD59808
Formula: C17H18O6
Smiles:
COc1cc(C2Oc3cc(O)cc(OC)c3CC2O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.32 | Num_heavy_atoms: | 23 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
