Glycoside
GD003797
Name:
NoneFormula:
C57H103O16N6FP2Smiles:
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC(COP(=O)(O)OC3C(CO)OC(n4ccc(N)nc4=O)C3O)OCCCCCCCCCCCCCCCCCC)O2)cc1FAglycone:
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC(COP(=O)(O)O)OCCCCCCCCCCCCCCCCCC)O2)cc1F.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 11.08 | Num_rotatable_bonds: | 50 |
| MolWt: | 1209.42 | Num_heavy_atoms: | 82 |
| TPSA: | 307.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03400
Formula: C48H92O12N3FP2
Smiles:
CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC(COP(=O)(O)O)OCCCCCCCCCCCCCCCCCC)O2)cc1F| HBA: | 15 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 12.59 | Num_rotatable_bonds: | 46 |
| MolWt: | 984.22 | Num_heavy_atoms: | 66 |
| TPSA: | 208.13 | NumAromaticRings: | 1 |
