Glycoside
GD034767
Name:
(3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(4-methoxyphenyl)ethenyl]phenoxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C28H28O12Smiles:
COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@H](O)[C@H](O)[C@H]3O)c2)cc1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1ccc(C=Cc2cc(O)cc(O)c2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.52 | Num_heavy_atoms: | 40 |
| TPSA: | 195.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD02004
Formula: C15H14O3
Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
