Glycoside
GD138925
Name:
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-2,3,4,5-tetrahydroxyhexanalFormula:
C21H22O11Smiles:
O=CC(O)C(O)C(O)C(O)COC1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1Aglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD03294
Formula: C15H12O5
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
