Glycoside
GD134224
Name:
10-[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-1,4',5',8,9',10-hexahydroxy-2',6-dimethyl-9H,9'H,10H,10'H-[2,9'-bianthracene]-9,10'-dioneFormula:
C42H42O18Smiles:
Cc1cc(O)c2c(c1)C(O)(c1ccc3c(c1O)C(=O)c1c(O)cc(C)cc1C3(O)C1OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C1O)c1cccc(O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(O)c1ccc(C3(O)c4cccc(O)c4C(=O)c4c(O)cc(C)cc43)c(O)c1C2=OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.38 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 834.78 | Num_heavy_atoms: | 60 |
| TPSA: | 324.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD07413
Formula: C30H22O8
Smiles:
Cc1cc(O)c2c(c1)C(O)c1ccc(C3(O)c4cccc(O)c4C(=O)c4c(O)cc(C)cc43)c(O)c1C2=O| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 510.5 | Num_heavy_atoms: | 38 |
| TPSA: | 155.52 | NumAromaticRings: | 4 |
