Glycoside
GD026158
Name:
[3,4,5-trihydroxy-6-({4-hydroxy-2,10-dioxatricyclo[5.3.1.0â´,¹¹]undecan-6-yl}oxy)oxan-2-yl]methyl 4-hydroxybenzoateFormula:
C22H28O11Smiles:
O=C(OC[C@@H]1O[C@H](O[C@@H]2C[C@]3(O)CO[C@@H]4OCC[C@H]2[C@H]43)[C@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.OC1CC2(O)COC3OCCC1C32Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.46 | Num_heavy_atoms: | 33 |
| TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD17264
Formula: C9H14O4
Smiles:
OC1CC2(O)COC3OCCC1C32| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.21 | Num_heavy_atoms: | 13 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
