Glycoside
GD126051
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromene-8-carboxylateFormula:
C22H20O12Smiles:
O=C(OC1OC(CO)C(O)C(O)C1O)c1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12Aglycone:
O=C(O)c1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.39 | Num_heavy_atoms: | 34 |
| TPSA: | 207.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD50984
Formula: C16H10O7
Smiles:
O=C(O)c1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.25 | Num_heavy_atoms: | 23 |
| TPSA: | 128.2 | NumAromaticRings: | 3 |
