Glycoside
GD116589
Name:
3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-8-hydroxy-6-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-oneFormula:
C26H30O13Smiles:
Cc1cc(O)c2c(c1)Cc1cc(OC3OCC(O)(CO)C3O)cc(OC3OC(CO)C(O)C(O)C3O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=OSugarmoiety:
OCC1(O)COC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.51 | Num_heavy_atoms: | 39 |
| TPSA: | 215.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00211
Formula: C15H12O4
Smiles:
Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
