Glycoside
GD002771
Name:
NoneFormula:
C18H23O12N5FPSmiles:
Nc1ccn(C2OC(COP(=O)(O)OCC3OC(n4cc(F)c(=O)[nH]c4=O)CC3O)C(O)C2O)c(=O)n1Aglycone:
COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 551.38 | Num_heavy_atoms: | 37 |
| TPSA: | 250.68 | 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 |
AD02607
Formula: C10H14O8N2FP
Smiles:
COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.2 | Num_heavy_atoms: | 22 |
| TPSA: | 140.08 | NumAromaticRings: | 1 |
