Glycoside
GD146422
Name:
4,4'-dihydroxy-2,2'-bis(hydroxymethyl)-5,5'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9H,9'H,10H,10'H-[9,9'-bianthracene]-10,10'-dioneFormula:
C42H42O18Smiles:
O=C1c2c(O)cc(CO)cc2C(C2c3cc(CO)cc(O)c3C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc32)c2cccc(OC3OC(CO)C(O)C(O)C3O)c21Aglycone:
O=C1c2c(O)cccc2C(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)c2cc(CO)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 834.78 | Num_heavy_atoms: | 60 |
| TPSA: | 313.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD58716
Formula: C30H22O8
Smiles:
O=C1c2c(O)cccc2C(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)c2cc(CO)cc(O)c21| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 510.5 | Num_heavy_atoms: | 38 |
| TPSA: | 155.52 | NumAromaticRings: | 4 |
