Glycoside
GD117677
Name:
2-(3,4-dihydroxyphenyl)-5-methoxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O15Smiles:
COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc2c1C(=O)CC(c1ccc(O)c(O)c1)O2Aglycone:
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)c(O)c1)O2Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD46955
Formula: C16H14O6
Smiles:
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)c(O)c1)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
