Glycoside
GD120689
Name:
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ³-chromen-1-iumFormula:
C22H24O12Smiles:
COc1cc(C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3[C](O)C=C(O)C=C3[OH+]2)cc(O)c1OAglycone:
COc1cc(C2=C(O)C=C3C(=CC(O)=CC3O)[OH+]2)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.42 | Num_heavy_atoms: | 34 |
| TPSA: | 202.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD47502
Formula: C16H15O7
Smiles:
COc1cc(C2=C(O)C=C3C(=CC(O)=CC3O)[OH+]2)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.29 | Num_heavy_atoms: | 23 |
| TPSA: | 123.18 | NumAromaticRings: | 1 |
