Glycoside
GD157292
Name:
7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-phenyl-4H-chromen-4-oneFormula:
C26H28O13Smiles:
O=c1cc(-c2ccccc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12Aglycone:
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 208.74 | 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 |
