Glycoside
GD002472
Name:
5-(acetyloxy)-4-hydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methoxy}oxan-3-yl 4-hydroxybenzoateFormula:
C27H32O14Smiles:
CC(=O)O[C@@H]1[C@H](OC[C@@H]2O[C@H](Oc3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)O[C@H](C)[C@H](OC(=O)c2ccc(O)cc2)[C@H]1OAglycone:
O=C(O)c1ccc(O)cc1.Oc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 210.9 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
