Glycoside
GD157311
Name:
1,1',8'-trihydroxy-3,6'-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H,9'H,10H,10'H-[2,2'-bianthracene]-9,9',10,10'-tetroneFormula:
C36H28O13Smiles:
Cc1cc(O)c2c(c1)C(=O)c1ccc(-c3c(C)cc4c(c3O)C(=O)c3c(OC5OC(CO)C(O)C(O)C5O)cccc3C4=O)c(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1ccc(-c3c(C)cc4c(c3O)C(=O)c3c(O)cccc3C4=O)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.22 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 668.61 | Num_heavy_atoms: | 49 |
| TPSA: | 228.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD62204
Formula: C30H18O8
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1ccc(-c3c(C)cc4c(c3O)C(=O)c3c(O)cccc3C4=O)c(O)c1C2=O| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 506.47 | Num_heavy_atoms: | 38 |
| TPSA: | 149.2 | NumAromaticRings: | 4 |
