Glycoside
GD151326
Name:
5-hydroxy-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C27H30O16Smiles:
O=c1c(-c2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12Aglycone:
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 269.43 | 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 |
