Glycoside
GD017172
Name:
NoneFormula:
C21H27O9N7P2SSmiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)(S)OP(=O)(O)NCCc3c[nH]c4ccccc34)[C@H](O)[C@H]2O)c2nc(N)nc([O-])c21Aglycone:
COP(=O)(S)OP(=O)(O)NCCc1c[nH]c2ccccc12.C[N+]1=C[N]c2nc(N)nc([O-])c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 615.5 | Num_heavy_atoms: | 40 |
| TPSA: | 234.01 | NumAromaticRings: | 4 |
Unique Aglycone
AD03635
Formula: C6H6ON5
Smiles:
C[N+]1=C[N]c2nc(N)nc([O-])c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 91.97 | NumAromaticRings: | 1 |
AD12289
Formula: C11H16O5N2P2S
Smiles:
COP(=O)(S)OP(=O)(O)NCCc1c[nH]c2ccccc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 350.27 | Num_heavy_atoms: | 21 |
| TPSA: | 100.65 | NumAromaticRings: | 2 |
