Glycoside
GD116085
Name:
[3,4,5-tris(acetyloxy)-6-[2,3-bis(hexadecanoyloxy)propoxy]oxan-2-yl]methanesulfonic acidFormula:
C47H84O15SSmiles:
CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC.CS(=O)(=O)OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 9.83 | Num_rotatable_bonds: | 39 |
| MolWt: | 921.24 | Num_heavy_atoms: | 63 |
| TPSA: | 204.33 | 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 |
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 |
