Glycoside
GD149839
Name:
(2R,3R)-3,5,7,4'-Tetrahydroxyflavanone 7-(6-[4-Hydroxy-2-Methylenebutanoyl]Glucoside)Formula:
C26H28O13Smiles:
C=C(CCO)C(=O)OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)C3=O)C(O)C(O)C1OAglycone:
C=C(CCO)C(=O)OC.O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD02615
Formula: C6H10O3
Smiles:
C=C(CCO)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD04886
Formula: C15H12O6
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
