Glycoside
GD145427
Name:
3-hydroxy-1-methoxy-2-{[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]methyl}-9,10-dihydroanthracene-9,10-dioneFormula:
C27H30O14Smiles:
COc1c(COC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c(O)cc2c1C(=O)c1ccccc1C2=OAglycone:
COc1c(CO)c(O)cc2c1C(=O)c1ccccc1C2=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD53911
Formula: C16H12O5
Smiles:
COc1c(CO)c(O)cc2c1C(=O)c1ccccc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
