Glycoside
GD013234
Name:
{3,4,5-trihydroxy-6-[5-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C21H24O12Smiles:
COc1ccc(CO)cc1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1ccc(CO)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.41 | Num_heavy_atoms: | 33 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
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 |
AD09902
Formula: C8H10O3
Smiles:
COc1ccc(CO)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
