Glycoside
GD149554
Name:
5,7-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-oneFormula:
C26H28O18Smiles:
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2c(OC3OCC(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)c(O)c(O)c12Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.42 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 628.49 | Num_heavy_atoms: | 44 |
| TPSA: | 309.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD46403
Formula: C15H10O9
Smiles:
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)c(O)c(O)c12| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.24 | Num_heavy_atoms: | 24 |
| TPSA: | 171.82 | NumAromaticRings: | 3 |
