Glycoside
GD130719
Name:
6-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-5-hydroxy-2-methyl-4-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-3-yl acetateFormula:
C41H48O23Smiles:
CC(=O)OC1C(C)OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C1OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 12 |
| MolWt: | 908.81 | Num_heavy_atoms: | 64 |
| TPSA: | 332.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(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 |
Sugarmoiety
SD07262
CC(=O)OC1C(C)OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O