Glycoside
GD033598
Name:
11-hydroxy-4-oxo-8-phenyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-oxatricyclo[7.3.1.0âµ,¹³]trideca-1(13),5,7,9,11-pentaene-2-carboxylic acidFormula:
C25H22O11Smiles:
O=C1OC(C(=O)O)c2cc(O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(-c4ccccc4)ccc1c23Aglycone:
O=C1OC(C(=O)O)c2cc(O)c(O)c3c(-c4ccccc4)ccc1c23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.44 | Num_heavy_atoms: | 36 |
| TPSA: | 183.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD21432
Formula: C19H12O6
Smiles:
O=C1OC(C(=O)O)c2cc(O)c(O)c3c(-c4ccccc4)ccc1c23| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 336.3 | Num_heavy_atoms: | 25 |
| TPSA: | 104.06 | NumAromaticRings: | 3 |
