Glycoside
GD141447
Name:
1,4',5',8,9'-pentahydroxy-2',6-dimethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H,10H,10'H-[2,9'-bianthracene]-9,10'-dioneFormula:
C36H32O12Smiles:
Cc1cc(O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1ccc(C3(O)c4cccc(O)c4C(=O)c4c(O)cc(C)cc43)c(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)Cc1ccc(C3(O)c4cccc(O)c4C(=O)c4c(O)cc(C)cc43)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.28 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 656.64 | Num_heavy_atoms: | 48 |
| TPSA: | 225.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD56982
Formula: C30H22O7
Smiles:
Cc1cc(O)c2c(c1)Cc1ccc(C3(O)c4cccc(O)c4C(=O)c4c(O)cc(C)cc43)c(O)c1C2=O| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 494.5 | Num_heavy_atoms: | 37 |
| TPSA: | 135.29 | NumAromaticRings: | 4 |
