Glycoside
GD039983
Name:
n-[(2s,3s,4r)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamideFormula:
C61H107O9N3Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](CNC(=O)Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.CNC(=O)Nc1cccc2ccccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | 13.47 | Num_rotatable_bonds: | 46 |
| MolWt: | 1026.54 | Num_heavy_atoms: | 73 |
| TPSA: | 189.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD00325
Formula: C44H89O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 12.66 | Num_rotatable_bonds: | 41 |
| MolWt: | 696.2 | Num_heavy_atoms: | 49 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
AD24625
Formula: C12H12ON2
Smiles:
CNC(=O)Nc1cccc2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.24 | Num_heavy_atoms: | 15 |
| TPSA: | 41.13 | NumAromaticRings: | 2 |
