Glycoside
GD114846
Name:
5-{[4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acidFormula:
C29H30O17Smiles:
CC(=O)OC1C(O)C(C)OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)OC(C(=O)O)C(O)C2O)C1OAglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(OC2C(O)OC(C(=O)O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 650.54 | Num_heavy_atoms: | 46 |
| TPSA: | 272.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
