Glycoside
GD143875
Name:
(3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy}oxan-2-yl)methyl 2-methoxybenzoateFormula:
C28H28O10Smiles:
COc1ccccc1C(=O)OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)C(O)C(O)C1OAglycone:
COC(=O)c1ccccc1OC.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 524.52 | Num_heavy_atoms: | 38 |
| TPSA: | 155.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD01773
Formula: C14H12O3
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
AD11503
Formula: C9H10O3
Smiles:
COC(=O)c1ccccc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
