Glycoside
GD141292
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-1λ³-chromen-1-iumFormula:
C20H20O11Smiles:
O[C]1C=C(O)C=C2[OH+]C(c3ccc(O)c(O)c3)=C(OC3OC(O)C(O)C(O)C3O)C=C12Aglycone:
OC1=CC(O)C2=CC(O)=C(c3ccc(O)c(O)c3)[OH+]C2=C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.25 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 193.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD45227
Formula: C15H13O6
Smiles:
OC1=CC(O)C2=CC(O)=C(c3ccc(O)c(O)c3)[OH+]C2=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.95 | NumAromaticRings: | 1 |
