Glycoside
GD139584
Name:
6-({6-[2-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-5-hydroxy-2-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetateFormula:
C35H42O21Smiles:
CC(=O)OC1C(C)OC(OCC2OC(Oc3cc(O)ccc3-c3cc(=O)c4c(O)cc(O)cc4o3)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.54 |
| AlogP: | -3.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 798.7 | Num_heavy_atoms: | 56 |
| TPSA: | 334.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD47973
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2O)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 |
