Glycoside
GD126415
Name:
4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2,5-dihydroxy-3,9-dimethoxy-2-methyl-1,2,3,4,6,11-hexahydrotetracene-1,6,11-trioneFormula:
C28H30O12Smiles:
COc1ccc2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(OC1OC(C)C(O)C(O)C1OC)C(OC)C(C)(O)C3=OAglycone:
COc1ccc2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 558.54 | Num_heavy_atoms: | 40 |
| TPSA: | 178.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD51150
Formula: C21H18O8
Smiles:
COc1ccc2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 398.37 | Num_heavy_atoms: | 29 |
| TPSA: | 130.36 | NumAromaticRings: | 2 |
