Glycoside
GD139472
Name:
6-{2-chloro-1-[(1-methyl-4-propylpyrrolidin-2-yl)formamido]propyl}-4,5-dihydroxy-2-(methylsulfanyl)oxan-3-yl hexadecanoateFormula:
C35H63O6N2ClSSmiles:
CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(N=C(O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1OAglycone:
CCCC1CC(C(O)=NCC(C)Cl)N(C)C1.CCCCCCCCCCCCCCCC(=O)OSugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 7.26 | Num_rotatable_bonds: | 22 |
| MolWt: | 663.41 | Num_heavy_atoms: | 44 |
| TPSA: | 111.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD52928
Formula: C13H23ON2Cl
Smiles:
CCCC1CC(C(O)=NCC(C)Cl)N(C)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 246.78 | Num_heavy_atoms: | 16 |
| TPSA: | 35.83 | NumAromaticRings: | 0 |
