Glycoside
GD123933
Name:
2-{3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C27H34O13Smiles:
COc1ccc(C=Cc2cc(O)cc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c2)cc1OAglycone:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 207.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD11932
Formula: C15H14O4
Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
