Glycoside
GD030914
Name:
NoneFormula:
C22H30O17N10FP3Smiles:
C[n+]1cn([C@H]2O[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4c[n+](C)c5c(=O)[nH]c(N)nc54)[C@H](F)[C@H]3O)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
COP(=O)([O-])OP(=O)([O-])OP(=O)(O)OCC1OC(n2c[n+](C)c3c(=O)[nH]c(N)nc32)C(F)C1O.C[N+]1=C[N]c2nc(N)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -5.4 | Num_rotatable_bonds: | 12 |
| MolWt: | 818.45 | Num_heavy_atoms: | 53 |
| TPSA: | 394.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD02176
Formula: C6H7ON5
Smiles:
C[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.16 | Num_heavy_atoms: | 12 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
AD19982
Formula: C12H18O13N5FP3
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)(O)OCC1OC(n2c[n+](C)c3c(=O)[nH]c(N)nc32)C(F)C1O| HBA: | 18 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 552.22 | Num_heavy_atoms: | 34 |
| TPSA: | 264.52 | NumAromaticRings: | 2 |
