Glycoside
GD023000
Name:
5-hydroxy-2,2,8-trimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromene-6-carbaldehydeFormula:
C19H24O9Smiles:
Cc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(C=O)c(O)c2c1OC(C)(C)C=C2Aglycone:
Cc1c(O)c(C=O)c(O)c2c1OC(C)(C)C=C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD15517
Formula: C13H14O4
Smiles:
Cc1c(O)c(C=O)c(O)c2c1OC(C)(C)C=C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.25 | Num_heavy_atoms: | 17 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
