Glycoside
GD125084
Name:
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3,5,6-trihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)-4H-chromen-4-oneFormula:
C27H30O16Smiles:
COc1cc(-c2cc(=O)c3c(O)c(C4OC(O)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)c(O)cc3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD03755
Formula: C16H12O6
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O| 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 |
