Glycoside
GD132415
Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C22H24O12Smiles:
COc1cc2c(c(O)c1OC1OC(CO)C(O)C(O)C1O)C(=O)CC(c1ccc(O)c(O)c1)O2Aglycone:
COc1cc2c(c(O)c1O)C(=O)CC(c1ccc(O)c(O)c1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.42 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD53613
Formula: C16H14O7
Smiles:
COc1cc2c(c(O)c1O)C(=O)CC(c1ccc(O)c(O)c1)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
