Glycoside
GD126407
Name:
3-benzyl-1-hydroxy-2-{[3,4,5-trihydroxy-6-(1-hydroxycyclohexyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C32H32O9Smiles:
O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(OC1OC(C3(O)CCCCC3)C(O)C(O)C1O)c2OAglycone:
O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(O)c2O.OC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.6 | Num_heavy_atoms: | 41 |
| 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 |
AD51143
Formula: C21H14O4
Smiles:
O=C1c2ccccc2C(=O)c2c1cc(Cc1ccccc1)c(O)c2O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.34 | Num_heavy_atoms: | 25 |
| TPSA: | 74.6 | NumAromaticRings: | 3 |
