Glycoside
GD156804
Name:
3-methoxy-2-methyl-6-(11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dodecyl)-1,4-dihydropyridin-4-oneFormula:
C25H43O8NSmiles:
COc1c(C)[nH]c(CCCCCCCCCCC(C)OC2OC(CO)C(O)C(O)C2O)cc1=OAglycone:
COc1c(C)[nH]c(CCCCCCCCCCC(C)O)cc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 15 |
| MolWt: | 485.62 | Num_heavy_atoms: | 34 |
| TPSA: | 141.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD62047
Formula: C19H33O3N
Smiles:
COc1c(C)[nH]c(CCCCCCCCCCC(C)O)cc1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 12 |
| MolWt: | 323.48 | Num_heavy_atoms: | 23 |
| TPSA: | 62.32 | NumAromaticRings: | 1 |
