Glycoside

GD026326
Name:
[6-(hexadecyloxy)-3,4-dihydroxy-5-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl hexadecanoateFormula:
C50H90O14Smiles:
CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CCCCCCCCCCCCCCCC(=O)OC.CCCCCCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(O)C(O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 14 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.92 |
AlogP: | 9.88 | Num_rotatable_bonds: | 37 |
MolWt: | 915.26 | Num_heavy_atoms: | 64 |
TPSA: | 182.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD01052
Formula: C16H34O
Smiles:
CCCCCCCCCCCCCCCCOHBA: | 1 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 1.0 |
AlogP: | 5.46 | Num_rotatable_bonds: | 14 |
MolWt: | 242.45 | Num_heavy_atoms: | 17 |
TPSA: | 20.23 | NumAromaticRings: | 0 |
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OCHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.94 |
AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
MolWt: | 270.46 | Num_heavy_atoms: | 19 |
TPSA: | 26.3 | NumAromaticRings: | 0 |