Glycoside
GD148564
Name:
6-({5,6-dihydroxy-2-[4-hydroxy-2-(3-hydroxypropyl)phenyl]-4-oxo-4H-chromen-7-yl}oxy)-3,4,4,5-tetrahydroxyoxane-2-carboxylic acidFormula:
C24H24O14Smiles:
O=C(O)C1OC(Oc2cc3oc(-c4ccc(O)cc4CCCO)cc(=O)c3c(O)c2O)C(O)C(O)(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2CCCO)oc2cc(O)c(O)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.44 | Num_heavy_atoms: | 38 |
| TPSA: | 247.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD46362
Formula: C18H16O7
Smiles:
O=c1cc(-c2ccc(O)cc2CCCO)oc2cc(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
