Glycoside
GD115533
Name:
{3,5-dihydroxy-2-[(3-hydroxy-2-icosanamidooctadec-4-en-1-yl)oxy]-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acidFormula:
C44H85O11NSSmiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCC.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 9.62 | Num_rotatable_bonds: | 39 |
| MolWt: | 836.23 | Num_heavy_atoms: | 57 |
| TPSA: | 195.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD45723
Formula: C38H75O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 11.96 | Num_rotatable_bonds: | 34 |
| MolWt: | 594.02 | Num_heavy_atoms: | 42 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
