Glycoside
GD127844
Name:
5-hydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C22H24O11Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c1)CC2=OAglycone:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD51779
Formula: C16H14O6
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2=O| 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 |
