Glycoside
GD157728
Name:
2-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H24O10Smiles:
OCC1OC(Oc2cc(O)cc3c2CCC(c2ccc(O)c(O)c2)O3)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 169.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD56954
Formula: C15H14O5
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
