Glycoside
GD134906
Name:
1-hydroxy-4-(2-phenylethyl)-2-{[3,4,5-trihydroxy-6-(1-hydroxycyclohexyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C33H34O9Smiles:
O=C1c2ccccc2C(=O)c2c(O)c(OC3OC(C4(O)CCCCC4)C(O)C(O)C3O)cc(CCc3ccccc3)c21Aglycone:
O=C1c2ccccc2C(=O)c2c(O)c(O)cc(CCc3ccccc3)c21.OC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 574.63 | Num_heavy_atoms: | 42 |
| TPSA: | 153.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD06056
Formula: C6H12O
Smiles:
OC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.16 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
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 |
