Glycoside
GD038777
Name:
[(2~{s},3~{s},4~{s},5~{r},6~{s})-6-[(2~{s})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acidFormula:
C32H60O12SSmiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CS(=O)(=O)O)[C@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCC.CS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 27 |
| MolWt: | 668.89 | Num_heavy_atoms: | 45 |
| 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 |
AD24137
Formula: C26H50O5
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 6.89 | Num_rotatable_bonds: | 23 |
| MolWt: | 442.68 | Num_heavy_atoms: | 31 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
