Glycoside
GD157344
Name:
[(2S,3S,4S,5R,6S)-6-[(2S)-2,3-Di(Hexadecanoyloxy)Propoxy]-4,5-Di(Hexadecanoyloxy)-3-Hydroxy-Tetrahydropyran-2-Yl]Methanesulfonic AcidFormula:
C73H138O14SSmiles:
CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC.CS(=O)(=O)OSugarmoiety:
OCC(O)COOOC(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 20.18 | Num_rotatable_bonds: | 66 |
| MolWt: | 1271.96 | Num_heavy_atoms: | 88 |
| TPSA: | 198.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
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 |
AD01044
Formula: C35H68O5
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 10.4 | Num_rotatable_bonds: | 32 |
| MolWt: | 568.92 | Num_heavy_atoms: | 40 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
