Glycoside
GD126063
Name:
1-methoxy-2-methyl-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dioneFormula:
C27H30O13Smiles:
COc1c(C)c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc2c1C(=O)c1ccccc1C2=OAglycone:
COc1c(C)c(O)cc2c1C(=O)c1ccccc1C2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.52 | Num_heavy_atoms: | 40 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD50989
Formula: C16H12O4
Smiles:
COc1c(C)c(O)cc2c1C(=O)c1ccccc1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
