Glycoside
GD140831
Name:
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}oxane-2-carboxylic acidFormula:
C28H28O17Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC4OC(C(=O)O)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)ccc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(O)ccc3o2)cc1Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.52 | Num_heavy_atoms: | 45 |
| TPSA: | 272.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD56778
Formula: C16H12O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(O)ccc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
