Glycoside
GD145012
Name:
1,2,6,8-Tetrahydroxy-3-Methylanthraquinone; 2-O-β-D-GlucopyranosideFormula:
C21H20O11Smiles:
Cc1cc2c(c(O)c1OC1OC(CO)C(O)C(O)C1O)C(=O)c1c(O)cc(O)cc1C2=OAglycone:
Cc1cc2c(c(O)c1O)C(=O)c1c(O)cc(O)cc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 194.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD52967
Formula: C15H10O6
Smiles:
Cc1cc2c(c(O)c1O)C(=O)c1c(O)cc(O)cc1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
