Glycoside
GD127086
Name:
2-{2-[7-hydroxy-8-(2-hydroxyethyl)-3,4-dihydro-2H-1-benzopyran-2-yl]-5-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H30O10Smiles:
COc1ccc(C2CCc3ccc(O)c(CCO)c3O2)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COc1ccc(C2CCc3ccc(O)c(CCO)c3O2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.49 | Num_heavy_atoms: | 34 |
| TPSA: | 158.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD51447
Formula: C18H20O5
Smiles:
COc1ccc(C2CCc3ccc(O)c(CCO)c3O2)c(O)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.35 | Num_heavy_atoms: | 23 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
