Glycoside
GD117600
Name:
(3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H30O11Smiles:
COc1ccc(C=Cc2cc(O)cc(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)c2)cc1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1ccc(C=Cc2cc(O)cc(O)c2)cc1OSugarmoiety:
OC1OC(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
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
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 |
