Glycoside
GD129078
Name:
3-acetyl-4a-{[4-({4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-5-hydroxy-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:
C40H50O17Smiles:
COC1C(=O)C(C(C)=O)=C(O)C2(OC3CC(OC4CC(OC5CC(C)(O)C(O)C(C)O5)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(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 802.82 | Num_heavy_atoms: | 57 |
| TPSA: | 257.43 | 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 |
