Glycoside
GD140055
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoateFormula:
C28H36O14Smiles:
COc1ccc(C(=O)OCC2(O)COC(OCC3OC(OCCc4ccc(O)cc4)C(O)C(O)C3O)C2O)cc1OCAglycone:
COC(=O)c1ccc(OC)c(OC)c1.OCCc1ccc(O)cc1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 596.58 | Num_heavy_atoms: | 42 |
| TPSA: | 203.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD13182
Formula: C10H12O4
Smiles:
COC(=O)c1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
