Glycoside
GD144946
Name:
3-acetyl-4a-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,6,7-trihydroxy-1-methoxy-1,2,4a,5,12,12a-hexahydrotetracene-2,5-dioneFormula:
C27H28O11Smiles:
COC1C(=O)C(C(C)=O)=C(O)C2(OC3CC(O)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(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| TPSA: | 180.05 | 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 |
