Glycoside
GD155961
Name:
6-({6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxyoxan-2-yl}methoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C27H28O16Smiles:
O=C(O)C1OC(OCC2CC(O)C(O)C(c3c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)O2)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(C3OC(CO)CC(O)C3O)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.51 | Num_heavy_atoms: | 43 |
| TPSA: | 277.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD61803
Formula: C21H20O10
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(C3OC(CO)CC(O)C3O)c(O)c12| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 181.05 | NumAromaticRings: | 3 |
