Glycoside
GD009149
Name:
NoneFormula:
C18H17O10N5PClSSmiles:
O=[N+]([O-])c1ccc(CSc2nc(O)c3nc(C4O[C@H](COP(=O)(O)O)[C@H](O)[C@H]4O)[nH]c3n2)c(Cl)c1Aglycone:
COP(=O)(O)O.O=[N+]([O-])c1ccc(CSc2nc(O)c3nc[nH]c3n2)c(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 549.84 | Num_heavy_atoms: | 35 |
| TPSA: | 234.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD07205
Formula: C13H8O3N5ClS
Smiles:
O=[N+]([O-])c1ccc(CSc2nc(O)c3nc[nH]c3n2)c(Cl)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 337.75 | Num_heavy_atoms: | 22 |
| TPSA: | 117.83 | NumAromaticRings: | 3 |
