Glycoside
GD039984
Name:
n-[(3s,4s,5r)-4,5-dihydroxy-1-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamideFormula:
C51H101O8NSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CC[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 11.29 | Num_rotatable_bonds: | 44 |
| MolWt: | 856.37 | Num_heavy_atoms: | 60 |
| TPSA: | 159.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD04548
Formula: C45H91O3N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.98 |
| AlogP: | 14.08 | Num_rotatable_bonds: | 41 |
| MolWt: | 694.23 | Num_heavy_atoms: | 49 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
