Glycoside
GD155114
Name:
5,7-dihydroxy-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-oneFormula:
C26H28O13Smiles:
O=c1c(C2OCC(O)C(O)C2O)c(-c2ccccc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12Aglycone:
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 230.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD21411
Formula: C15H10O4
Smiles:
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
