Glycoside
GD124619
Name:
(6-{[2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 2-methylbutanoateFormula:
C26H28O14Smiles:
CCC(C)C(=O)OCC1OC(Oc2cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c(O)c2O)C(O)C(O)C1OAglycone:
CCC(C)C(=O)OC.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 236.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD16484
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
AD17547
Formula: C6H12O2
Smiles:
CCC(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
