Glycoside
GD152006
Name:
4,5-dihydroxy-2-{3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C30H30O11Smiles:
COc1cc(C=CC(=O)OC2C(Oc3cc(O)cc(C=Cc4ccc(O)cc4)c3)OC(CO)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.56 | Num_heavy_atoms: | 41 |
| TPSA: | 175.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
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 |
