Glycoside
GD126812
Name:
2-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H24O10Smiles:
COc1cc(C2=CCc3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3O2)ccc1OAglycone:
COc1cc(C2=CCc3c(O)cc(O)cc3O2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 158.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD51329
Formula: C16H14O5
Smiles:
COc1cc(C2=CCc3c(O)cc(O)cc3O2)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
