Glycoside
GD118797
Name:
2-acetyl-12a-{[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}-3,8,10,11-tetrahydroxy-4-methoxy-9-methyl-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dioneFormula:
C41H52O18Smiles:
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(cc4cc(O)c(C)c(O)c4c3O)CC12Aglycone:
COC1C(O)=C(C(C)=O)C(=O)C2(O)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12Sugarmoiety:
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 832.85 | Num_heavy_atoms: | 59 |
| TPSA: | 277.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD24585
Formula: C22H20O9
Smiles:
COC1C(O)=C(C(C)=O)C(=O)C2(O)C(=O)c3c(cc4cc(O)c(C)c(O)c4c3O)CC12| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 428.39 | Num_heavy_atoms: | 31 |
| TPSA: | 161.59 | NumAromaticRings: | 2 |
