Glycoside
GD006244
Name:
2-[5,7-dihydroxy-4-oxo-2-(propan-2-yl)-4H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C25H26O13Smiles:
CC(C)c1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2o1Aglycone:
CC(C)c1cc(=O)c2c(O)cc(O)cc2o1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.47 | Num_heavy_atoms: | 38 |
| TPSA: | 227.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD05184
Formula: C12H12O4
Smiles:
CC(C)c1cc(=O)c2c(O)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.22 | Num_heavy_atoms: | 16 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
