Glycoside
GD114807
Name:
3-acetyl-4a-({4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-4,6,7-trihydroxy-1-methoxy-1,2,4a,5,12,12a-hexahydrotetracene-2,5-dioneFormula:
C33H38O14Smiles:
COC1C(=O)C(C(C)=O)=C(O)C2(OC3CC(OC4CC(O)C(O)C(C)O4)C(O)C(C)O3)C(=O)c3c(cc4cccc(O)c4c3O)CC12Aglycone:
COC1C(=O)C(C(C)=O)=C(O)C2(O)C(=O)c3c(cc4cccc(O)c4c3O)CC12Sugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 658.65 | Num_heavy_atoms: | 47 |
| TPSA: | 218.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD45298
Formula: C21H18O8
Smiles:
COC1C(=O)C(C(C)=O)=C(O)C2(O)C(=O)c3c(cc4cccc(O)c4c3O)CC12| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 398.37 | Num_heavy_atoms: | 29 |
| TPSA: | 141.36 | NumAromaticRings: | 2 |
