Glycoside
GD021650
Name:
NoneFormula:
C54H96O11N6FPSmiles:
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OCC3OC(n4cc(F)c(NCCCCCCCCCCCCCCCCCC)nc4=O)CC3O)C(O)C2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1.CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OC)O2)cc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 11.39 | Num_rotatable_bonds: | 44 |
| MolWt: | 1055.36 | Num_heavy_atoms: | 73 |
| TPSA: | 228.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD02079
Formula: C22H41ON3
Smiles:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 18 |
| MolWt: | 363.59 | Num_heavy_atoms: | 26 |
| TPSA: | 57.78 | NumAromaticRings: | 1 |
AD10532
Formula: C28H51O7N3FP
Smiles:
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OC)O2)cc1F| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 6.47 | Num_rotatable_bonds: | 23 |
| MolWt: | 591.7 | Num_heavy_atoms: | 40 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
