Glycoside
GD018742
Name:
NoneFormula:
C57H103O16N6FP2Smiles:
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(CO)C(OP(=O)(O)OCC(O)COP(=O)(O)OCC3OC(n4cc(F)c(NCCCCCCCCCCCCCCCCCC)nc4=O)CC3O)C2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1.CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC(O)COP(=O)(O)O)O2)cc1FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 10.88 | Num_rotatable_bonds: | 50 |
| MolWt: | 1209.42 | Num_heavy_atoms: | 82 |
| TPSA: | 304.74 | 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 |
AD13165
Formula: C30H56O12N3FP2
Smiles:
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC(O)COP(=O)(O)O)O2)cc1F| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 28 |
| MolWt: | 731.73 | Num_heavy_atoms: | 48 |
| TPSA: | 219.13 | NumAromaticRings: | 1 |
