Glycoside
GD148720
Name:
1-hydroxy-4-(2-phenylethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C28H26O9Smiles:
O=C1c2ccccc2C(=O)c2c(O)c(OC3OC(CO)C(O)C(O)C3O)cc(CCc3ccccc3)c21Aglycone:
O=C1c2ccccc2C(=O)c2c(O)c(O)cc(CCc3ccccc3)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.51 | Num_heavy_atoms: | 37 |
| TPSA: | 153.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD53140
Formula: C22H16O4
Smiles:
O=C1c2ccccc2C(=O)c2c(O)c(O)cc(CCc3ccccc3)c21| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.37 | Num_heavy_atoms: | 26 |
| TPSA: | 74.6 | NumAromaticRings: | 3 |
