Glycoside
GD029776
Name:
NoneFormula:
C40H46O13N10FSSmiles:
Nc1nc2c(c(=O)[nH]1)[n+](Cc1ccc(F)cc1)cn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)NCCCCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CCC(=O)NCCCCCC(=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: | 23 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 18 |
| MolWt: | 925.93 | Num_heavy_atoms: | 65 |
| TPSA: | 327.42 | 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 |
AD19331
Formula: C24H31O9N5S
Smiles:
COS(=O)(=O)NC(=O)CCC(=O)NCCCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 13 |
| MolWt: | 565.61 | Num_heavy_atoms: | 39 |
| TPSA: | 197.15 | NumAromaticRings: | 1 |
