Glycoside
GD145494
Name:
7-{[1-({6-[(7-acetyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy]-2,3,4,5-tetrahydroxyhexyl}oxy)-4,5-dihydroxy-7-oxo-6-[(2,3,4,5-tetrahydroxy-6-oxohexyl)oxy]heptan-3-yl]oxy}-2,3,4,5-tetrahydroxyheptanalFormula:
C40H60O24Smiles:
COc1cc(OCC(O)C(O)C(O)C(O)COCCC(OCCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C(C=O)OCC(O)C(O)C(O)C(O)C=O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
COc1ccc2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)CCOC(CCOCC(O)C(O)C(O)C(O)COO)C(O)C(O)C(C=O)OCC(O)C(O)C(O)C(O)C=OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 2 |
| HBD: | 15 | FractionCSP3: | 0.65 |
| AlogP: | -6.34 | Num_rotatable_bonds: | 32 |
| MolWt: | 924.9 | Num_heavy_atoms: | 64 |
| TPSA: | 417.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD58399
Formula: C14H14O3
Smiles:
COc1ccc2c(O)c(C(C)=O)c(C)cc2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.26 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
Sugarmoiety
SD09227
O=CC(O)C(O)C(O)C(O)CCOC(CCOCC(O)C(O)C(O)C(O)COO)C(O)C(O)C(C=O)OCC(O)C(O)C(O)C(O)C=O