Glycoside
GD031433
Name:
NoneFormula:
C44H85O11N3Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CNC(=O)[C@H](N)CCC(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCC.CNC(=O)C(N)CCC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 38 |
| MolWt: | 832.17 | Num_heavy_atoms: | 58 |
| TPSA: | 241.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD15308
Formula: C33H67O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 8.37 | Num_rotatable_bonds: | 30 |
| MolWt: | 541.9 | Num_heavy_atoms: | 38 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
AD20251
Formula: C6H12O3N2
Smiles:
CNC(=O)C(N)CCC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 160.17 | Num_heavy_atoms: | 11 |
| TPSA: | 92.42 | NumAromaticRings: | 0 |
