Glycoside
GD139416
Name:
[3,4-dihydroxy-6-(3-hydroxy-4-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C20H22O11Smiles:
COc1ccc(OC2CC(O)C(O)C(COC(=O)c3cc(O)c(O)c(O)c3)O2)cc1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1ccc(O)cc1OSugarmoiety:
OC1CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.39 | Num_heavy_atoms: | 31 |
| TPSA: | 175.37 | 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 |
AD56215
Formula: C7H8O3
Smiles:
COc1ccc(O)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
