Glycoside
GD129536
Name:
2-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethenyl]-6-phenoxyoxane-3,4,4,5-tetrolFormula:
C20H22O8Smiles:
OCC1(C=Cc2ccc(O)cc2)OC(Oc2ccccc2)C(O)C(O)(O)C1OAglycone:
C=Cc1ccc(O)cc1.Oc1ccccc1Sugarmoiety:
OCC1(O)OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 139.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD01349
Formula: C6H6O
Smiles:
Oc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.11 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD21788
Formula: C8H8O
Smiles:
C=Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
