Glycoside
GD136318
Name:
2,3,4,5-tetrahydroxy-5-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-7-yl]oxy}pentanalFormula:
C27H30O17Smiles:
COc1ccc(-c2oc3cc(OC(O)C(O)C(O)C(O)C=O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc1OAglycone:
COc1ccc(-c2oc3cccc(O)c3c(=O)c2O)cc1OSugarmoiety:
O=CC(O)C(O)C(O)C(O)OO.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 626.52 | Num_heavy_atoms: | 44 |
| TPSA: | 286.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD48388
Formula: C16H12O6
Smiles:
COc1ccc(-c2oc3cccc(O)c3c(=O)c2O)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
