Glycoside
GD145141
Name:
(3,5-dihydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylateFormula:
C20H24O12Smiles:
O=C1CCC=CC1(O)C(=O)OCc1cc(O)cc(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C1CCC=CC1(O)C(=O)OCc1cc(O)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.4 | Num_heavy_atoms: | 32 |
| TPSA: | 203.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD58278
Formula: C14H14O7
Smiles:
O=C1CCC=CC1(O)C(=O)OCc1cc(O)cc(O)c1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.26 | Num_heavy_atoms: | 21 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
