Glycoside
GD127271
Name:
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(4-hydroxyphenyl)-5-methoxy-4H-chromen-4-oneFormula:
C27H30O14Smiles:
COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)cc2occ(-c3ccc(O)cc3)c(=O)c12Aglycone:
COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD21512
Formula: C16H12O5
Smiles:
COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
