Glycoside
GD141923
Name:
2-[(7-cyclopentanecarbonyl-8-hydroxy-3-methoxy-6-methylnaphthalen-1-yl)oxy]-6-(1-hydroxy-3-phenylpropyl)oxane-3,4,5-triolFormula:
C32H38O9Smiles:
COc1cc(OC2OC(C(O)CCc3ccccc3)C(O)C(O)C2O)c2c(O)c(C(=O)C3CCCC3)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)C3CCCC3)c(C)cc2c1.OCCCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.65 | Num_heavy_atoms: | 41 |
| TPSA: | 145.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD01225
Formula: C9H12O
Smiles:
OCCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 136.19 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD54463
Formula: C18H20O4
Smiles:
COc1cc(O)c2c(O)c(C(=O)C3CCCC3)c(C)cc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.35 | Num_heavy_atoms: | 22 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
