Glycoside
GD128538
Name:
{6-[2,3-bis(hexadec-8-enoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl}methanesulfonic acidFormula:
C41H74O12SSmiles:
CCCCCCCC=CCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCC=CCCCCCCCAglycone:
CCCCCCCC=CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCCCCCCC.CS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 7.67 | Num_rotatable_bonds: | 34 |
| MolWt: | 791.1 | Num_heavy_atoms: | 54 |
| TPSA: | 186.12 | 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 |
AD52064
Formula: C35H64O5
Smiles:
CCCCCCCC=CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 9.95 | Num_rotatable_bonds: | 30 |
| MolWt: | 564.89 | Num_heavy_atoms: | 40 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
