Glycoside
GD145822
Name:
2-{[3-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-yl]oxy}-4,5-dihydroxyoxan-3-yl acetateFormula:
C22H20O11Smiles:
CC(=O)OC1C(Oc2cc(O)cc3occ(-c4ccc(O)c(O)c4)c(=O)c23)OCC(O)C1OAglycone:
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.39 | Num_heavy_atoms: | 33 |
| TPSA: | 176.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD16357
Formula: C15H10O6
Smiles:
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
