Glycoside
GD156045
Name:
1-hydroxy-2-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C21H20O9Smiles:
Cc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1O)C(=O)c1ccccc1C2=OAglycone:
Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD12307
Formula: C15H10O4
Smiles:
Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
