Glycoside
GD116958
Name:
1-(3-cyclopentyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)heptan-1-oneFormula:
C29H40O9Smiles:
CCCCCCC(=O)c1c(C2CCCC2)cc2cc(OC)cc(OC3OC(CO)C(O)C(O)C3O)c2c1OAglycone:
CCCCCCC(=O)c1c(C2CCCC2)cc2cc(OC)cc(O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 11 |
| MolWt: | 532.63 | Num_heavy_atoms: | 38 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD46552
Formula: C23H30O4
Smiles:
CCCCCCC(=O)c1c(C2CCCC2)cc2cc(OC)cc(O)c2c1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 6.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 370.49 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
