Glycoside
GD027186
Name:
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H22O11Smiles:
OC[C@@H]1OC(OC2=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
OC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 189.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD17890
Formula: C15H12O6
Smiles:
OC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
