Glycoside
GD115318
Name:
1-hydroxy-3-(4-hydroxy-1-phenylbutyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C30H30O10Smiles:
O=C1c2ccccc2C(=O)c2c1cc(C(CCCO)c1ccccc1)c(OC1OC(CO)C(O)C(O)C1O)c2OAglycone:
O=C1c2ccccc2C(=O)c2c1cc(C(CCCO)c1ccccc1)c(O)c2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.56 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD45593
Formula: C24H20O5
Smiles:
O=C1c2ccccc2C(=O)c2c1cc(C(CCCO)c1ccccc1)c(O)c2O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.42 | Num_heavy_atoms: | 29 |
| TPSA: | 94.83 | NumAromaticRings: | 3 |
