Glycoside
GD004393
Name:
NoneFormula:
C21H28O17N10FP3Smiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2F)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.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.52 |
| AlogP: | -4.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 804.43 | Num_heavy_atoms: | 52 |
| TPSA: | 400.97 | NumAromaticRings: | 4 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD03844
Formula: C12H19O13N5FP3
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: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 553.23 | Num_heavy_atoms: | 34 |
| TPSA: | 261.69 | NumAromaticRings: | 2 |
