Glycoside
GD118938
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,6-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C28H32O16Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD10473
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1| 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 |
