Glycoside
GD133694
Name:
4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2,5-dihydroxy-9-methoxy-2-methyl-1,2,3,4,6,11-hexahydrotetracene-1,6,11-trioneFormula:
C27H28O11Smiles:
COc1ccc2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(OC1OC(C)C(O)C(O)C1OC)CC(C)(O)C3=OAglycone:
COc1ccc2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)CC(C)(O)C3=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| TPSA: | 169.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD54095
Formula: C20H16O7
Smiles:
COc1ccc2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)CC(C)(O)C3=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.34 | Num_heavy_atoms: | 27 |
| TPSA: | 121.13 | NumAromaticRings: | 2 |
