Glycoside
GD119546
Name:
7-Hydroxy-3',4'-Methylenedioxyflavan 7-O-Beta-D-GlucopyranosideFormula:
C22H24O9Smiles:
OCC1OC(Oc2ccc3c(c2)OC(c2ccc4c(c2)OCO4)CC3)C(O)C(O)C1OAglycone:
Oc1ccc2c(c1)OC(c1ccc3c(c1)OCO3)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD47918
Formula: C16H14O4
Smiles:
Oc1ccc2c(c1)OC(c1ccc3c(c1)OCO3)CC2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 47.92 | NumAromaticRings: | 2 |
