Glycoside
GD135388
Name:
1-hydroxy-7-(hydroxymethyl)-4-(2-phenylethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C29H28O10Smiles:
O=C1c2ccc(CO)cc2C(=O)c2c(O)c(OC3OC(CO)C(O)C(O)C3O)cc(CCc3ccccc3)c21Aglycone:
O=C1c2ccc(CO)cc2C(=O)c2c(O)c(O)cc(CCc3ccccc3)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.53 | Num_heavy_atoms: | 39 |
| TPSA: | 173.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD54744
Formula: C23H18O5
Smiles:
O=C1c2ccc(CO)cc2C(=O)c2c(O)c(O)cc(CCc3ccccc3)c21| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.39 | Num_heavy_atoms: | 28 |
| TPSA: | 94.83 | NumAromaticRings: | 3 |
