Glycoside
GD155677
Name:
3-{[2-(4-methoxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-5-yl]oxy}-3-oxopropanoic acidFormula:
C25H24O13Smiles:
COc1ccc(-c2cc(=O)c3c(OC(=O)CC(=O)O)cc(OC4OC(CO)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(OC(=O)CC(=O)O)cc(O)cc3o2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.45 | Num_heavy_atoms: | 38 |
| TPSA: | 202.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD61726
Formula: C19H14O8
Smiles:
COc1ccc(-c2cc(=O)c3c(OC(=O)CC(=O)O)cc(O)cc3o2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.31 | Num_heavy_atoms: | 27 |
| TPSA: | 123.27 | NumAromaticRings: | 3 |
