Glycoside
GD025449
Name:
NoneFormula:
C32H54O9N4Smiles:
CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 24 |
| MolWt: | 638.8 | Num_heavy_atoms: | 45 |
| TPSA: | 200.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD16872
Formula: C27H46O5N4
Smiles:
CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)Nc1cc[nH]c(=O)n1| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 22 |
| MolWt: | 506.69 | Num_heavy_atoms: | 36 |
| TPSA: | 141.25 | NumAromaticRings: | 1 |
