Glycoside
GD021754
Name:
NoneFormula:
C73H133O17N6FP2Smiles:
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(CO)C(OP(=O)(O)OCC(COP(=O)(O)OCC3OC(n4cc(F)c(NCCCCCCCCCCCCCCCCCC)nc4=O)CC3O)OC(=O)CCCCCCCCCCCCCCC)C2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1.CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC)O2)cc1FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 16.91 | Num_rotatable_bonds: | 65 |
| MolWt: | 1447.84 | Num_heavy_atoms: | 99 |
| TPSA: | 310.81 | 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 |
AD14821
Formula: C46H86O13N3FP2
Smiles:
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC)O2)cc1F| HBA: | 16 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 11.34 | Num_rotatable_bonds: | 43 |
| MolWt: | 970.15 | Num_heavy_atoms: | 65 |
| TPSA: | 225.2 | NumAromaticRings: | 1 |
