Glycoside
GD140085
Name:
2-{4,5-dihydroxy-2-[(3,4,5-trihydroxyoxan-2-yl)methoxy]phenyl}-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C27H30O16Smiles:
O=c1cc(-c2cc(O)c(O)cc2OCC2OCC(O)C(O)C2O)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12Aglycone:
COc1cc(O)c(O)cc1-c1cc(=O)c2c(O)cc(O)cc2o1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD49816
Formula: C16H12O7
Smiles:
COc1cc(O)c(O)cc1-c1cc(=O)c2c(O)cc(O)cc2o1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
