Glycoside
GD025409
Name:
NoneFormula:
C28H48O12N4S2Smiles:
Cc1cn([C@@H]2C[C@H](O)[C@H](CSCCCCCCS[C@@H]3O[C@H](COC4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=OAglycone:
Cc1cn(C2CC(O)C(CSCCCCCCS)O2)c(=O)[nH]c1=OSugarmoiety:
NCC1OC(OCC2OC(O)C(O)C(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.86 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 15 |
| MolWt: | 696.84 | Num_heavy_atoms: | 46 |
| TPSA: | 265.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD14398
Formula: C16H26O4N2S2
Smiles:
Cc1cn(C2CC(O)C(CSCCCCCCS)O2)c(=O)[nH]c1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 374.53 | Num_heavy_atoms: | 24 |
| TPSA: | 84.32 | NumAromaticRings: | 1 |
