Glycoside
GD138846
Name:
2,6,8-trihydroxy-3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1,4-dihydronaphthalen-1-oneFormula:
C22H22O11Smiles:
O=C1C(O)=C(c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)Cc2cc(O)cc(O)c21Aglycone:
O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 197.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD47722
Formula: C16H12O6
Smiles:
O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
