Glycoside
GD037939
Name:
(1r)-1,5-anhydro-1-[(1e,3s,4s,5r)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-d-galactitolFormula:
C54H105O8NSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C=C[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CCCCCCCCCCCCCCAglycone:
C=CC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 12.24 | Num_rotatable_bonds: | 46 |
| MolWt: | 896.43 | Num_heavy_atoms: | 63 |
| TPSA: | 159.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD23785
Formula: C48H95O3N
Smiles:
C=CC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 15.02 | Num_rotatable_bonds: | 44 |
| MolWt: | 734.29 | Num_heavy_atoms: | 52 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
