Glycoside
GD137547
Name:
1-(3-cyclopentyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-5-methylhexan-1-oneFormula:
C29H40O9Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CCCC(C)C)c(C3CCCC3)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCCC(C)C)c(C3CCCC3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 532.63 | Num_heavy_atoms: | 38 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD55565
Formula: C23H30O4
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCCC(C)C)c(C3CCCC3)cc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 370.49 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
