Glycoside
GD147829
Name:
1,4',5',8-tetrahydroxy-2'-(hydroxymethyl)-6-methyl-9'-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9H,9'H,10H,10'H-[2,9'-bianthracene]-9,10,10'-trioneFormula:
C42H40O19Smiles:
Cc1cc(O)c2c(c1)C(=O)c1ccc(C3(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c4cccc(O)c4C(=O)c4c(O)cc(CO)cc43)c(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1ccc(C3(O)c4cccc(O)c4C(=O)c4c(O)cc(CO)cc43)c(O)c1C2=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.36 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 848.76 | Num_heavy_atoms: | 61 |
| TPSA: | 330.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD59183
Formula: C30H20O9
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1ccc(C3(O)c4cccc(O)c4C(=O)c4c(O)cc(CO)cc43)c(O)c1C2=O| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.1 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 524.48 | Num_heavy_atoms: | 39 |
| TPSA: | 172.59 | NumAromaticRings: | 4 |
