Glycoside
GD134041
Name:
6-{[3-benzyl-5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,4,5-tetrahydroxyoxane-2-carboxylic acidFormula:
C28H24O13Smiles:
O=C(O)C1OC(Oc2cc3oc(-c4ccc(O)cc4)c(Cc4ccccc4)c(=O)c3c(O)c2O)C(O)C(O)(O)C1OAglycone:
O=c1c(Cc2ccccc2)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.49 | Num_heavy_atoms: | 41 |
| TPSA: | 227.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD46626
Formula: C22H16O6
Smiles:
O=c1c(Cc2ccccc2)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.05 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.36 | Num_heavy_atoms: | 28 |
| TPSA: | 111.13 | NumAromaticRings: | 4 |
