Glycoside
GD038739
Name:
(15z)-n-((1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamideFormula:
C48H91O11NSSmiles:
CCCCCCCCC=CCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@@H]1O)[C@H](O)C=CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 10.11 | Num_rotatable_bonds: | 42 |
| MolWt: | 890.32 | Num_heavy_atoms: | 61 |
| TPSA: | 192.08 | 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 |
AD24120
Formula: C42H81O3N
Smiles:
CCCCCCCCC=CCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 12.46 | Num_rotatable_bonds: | 37 |
| MolWt: | 648.11 | Num_heavy_atoms: | 46 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
