Glycoside
GD142978
Name:
2-[4-({4,5-dihydroxy-6-methoxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)phenyl]-5-hydroxy-7-methoxy-4H-chromen-4-oneFormula:
C28H32O14Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(OC4OC(OC)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3)oc2c1Aglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
COC1OC(O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 206.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD05008
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| 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 |
