Glycoside
GD037942
Name:
(1r)-1,5-anhydro-1-{(1e,3s,4s,5r)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-d-galactitolFormula:
C39H67O8NSmiles:
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](C=C[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)NC(=O)CCCCCCCc1ccccc1Aglycone:
C=CC(NC(=O)CCCCCCCc1ccccc1)C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 27 |
| MolWt: | 677.96 | Num_heavy_atoms: | 48 |
| TPSA: | 159.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD23786
Formula: C33H57O3N
Smiles:
C=CC(NC(=O)CCCCCCCc1ccccc1)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 8.05 | Num_rotatable_bonds: | 25 |
| MolWt: | 515.82 | Num_heavy_atoms: | 37 |
| TPSA: | 69.56 | NumAromaticRings: | 1 |
