Glycoside
GD135783
Name:
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ³-chromen-1-iumFormula:
C23H26O12Smiles:
COc1cc(C2=C(OC3OC(CO)C(O)C(O)C3O)C=C3[C](O)C=C(O)C=C3[OH+]2)cc(OC)c1OAglycone:
COc1cc(C2=C(O)C=C3C(=CC(O)=CC3O)[OH+]2)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 191.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD45058
Formula: C17H17O7
Smiles:
COc1cc(C2=C(O)C=C3C(=CC(O)=CC3O)[OH+]2)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.32 | Num_heavy_atoms: | 24 |
| TPSA: | 112.18 | NumAromaticRings: | 1 |
