Glycoside
GD128738
Name:
1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(4-hydroxypiperidin-4-yl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-oneFormula:
C24H31O9NSmiles:
COc1cc(OC2OC(C3(O)CCNCC3)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1.OC1CCNCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 477.51 | Num_heavy_atoms: | 34 |
| TPSA: | 157.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD15787
Formula: C14H14O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
AD25045
Formula: C5H11ON
Smiles:
OC1CCNCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
