Glycoside
GD118237
Name:
2-{[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-5H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H22O12Smiles:
OCC1OC(OC2=C(c3cc(O)c(O)c(O)c3)OC3=CC(O)=CC(O)C3=C2)C(O)C(O)C1OAglycone:
OC1=CC(O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)OC2=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 209.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD47254
Formula: C15H12O7
Smiles:
OC1=CC(O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)OC2=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 1 |
