Glycoside
GD000667
Name:
NoneFormula:
C28H48O7N4SSmiles:
CCCCCCCCCCCCCC(=O)N[C@H](CCSC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 20 |
| MolWt: | 584.78 | Num_heavy_atoms: | 40 |
| TPSA: | 163.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD00720
Formula: C23H40O3N4S
Smiles:
CCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)Nc1cc[nH]c(=O)n1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 18 |
| MolWt: | 452.67 | Num_heavy_atoms: | 31 |
| TPSA: | 103.95 | NumAromaticRings: | 1 |
