Glycoside
GD036458
Name:
NoneFormula:
C39H49O17N9FP2Smiles:
Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(F)cc1)cn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccc(F)cc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 23 |
| MolWt: | 996.81 | Num_heavy_atoms: | 68 |
| TPSA: | 358.63 | NumAromaticRings: | 4 |
Unique Aglycone
AD17051
Formula: C12H10ON5F
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccc(F)cc1)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 259.24 | Num_heavy_atoms: | 19 |
| TPSA: | 88.88 | NumAromaticRings: | 2 |
AD22989
Formula: C23H34O13N4P2
Smiles:
COP(=O)(O)OP(=O)(O)NCCOCCOCCOCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O| HBA: | 17 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 18 |
| MolWt: | 636.49 | Num_heavy_atoms: | 42 |
| TPSA: | 228.36 | NumAromaticRings: | 1 |
