Glycoside
GD116192
Name:
(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl)methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C26H32O15Smiles:
COc1cc(C(=O)OCC2(O)COC(OCC3OC(Oc4ccc(O)cc4)C(O)C(O)C3O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 584.53 | Num_heavy_atoms: | 41 |
| TPSA: | 223.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
