Glycoside
GD125748
Name:
1,7,8,11-tetrahydroxy-10-[(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy]-3,9-dimethoxy-8-methyl-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneFormula:
C29H34O13Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(OC1OC(C)C(OC)C(O)C1OC)C(OC)C(C)(O)C3OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3OSugarmoiety:
COC1C(C)OC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 590.58 | Num_heavy_atoms: | 42 |
| TPSA: | 190.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD50865
Formula: C21H20O9
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O)C(OC)C(C)(O)C3O| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
