Glycoside
GD116077
Name:
8-hydroxy-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-1H-2-benzopyran-1-oneFormula:
C21H22O10Smiles:
O=C1OC(c2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2)Cc2cccc(O)c21Aglycone:
O=C1OC(c2ccc(O)c(O)c2)Cc2cccc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD46038
Formula: C15H12O5
Smiles:
O=C1OC(c2ccc(O)c(O)c2)Cc2cccc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
