Glycoside
GD118661
Name:
3,5-dihydroxy-2-(4-methoxy-3-methylphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C28H32O15Smiles:
COc1ccc(-c2oc3cc(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)cc(O)c3c(=O)c2O)cc1CAglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1CSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD47471
Formula: C17H14O6
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
