Glycoside

GD134291
Name:
2-methyl-6-oxo-16-propyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydropyrano[2,3-b]1,4-dioxacyclopentadecan-3-yl 3-hydroxy-2-methylbutanoateFormula:
C31H54O12Smiles:
CCCC1CCCCCCCCCC(=O)OC2C(O1)OC(C)C(OC(=O)C(C)C(C)O)C2OC1OC(C)C(O)C(O)C1OAglycone:
CCCC1CCCCCCCCCC(=O)OC2C(O1)OC(C)C(OC(=O)C(C)C(C)O)C2OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.94 |
AlogP: | 2.49 | Num_rotatable_bonds: | 7 |
MolWt: | 618.76 | Num_heavy_atoms: | 43 |
TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD54334
Formula: C25H44O8
Smiles:
CCCC1CCCCCCCCCC(=O)OC2C(O1)OC(C)C(OC(=O)C(C)C(C)O)C2OHBA: | 8 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.92 |
AlogP: | 3.64 | Num_rotatable_bonds: | 5 |
MolWt: | 472.62 | Num_heavy_atoms: | 33 |
TPSA: | 111.52 | NumAromaticRings: | 0 |