Glycoside
GD136546
Name:
[3,4,5-trihydroxy-6-(3-hydroxy-5-methylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C20H22O11Smiles:
Cc1cc(O)cc(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.Cc1cc(O)cc(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.39 | Num_heavy_atoms: | 31 |
| TPSA: | 186.37 | 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 |
AD15706
Formula: C7H8O2
Smiles:
Cc1cc(O)cc(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
