Glycoside
GD005846
Name:
NoneFormula:
C25H28O8N5PSmiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]2O)c2nc(N(Cc3ccccc3)Cc3ccccc3)[nH]c(=O)c21Aglycone:
COP(=O)([O-])O.C[N+]1=C[N]c2nc(N(Cc3ccccc3)Cc3ccccc3)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 557.5 | Num_heavy_atoms: | 39 |
| TPSA: | 177.08 | NumAromaticRings: | 4 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD04903
Formula: C20H19ON5
Smiles:
C[N+]1=C[N]c2nc(N(Cc3ccccc3)Cc3ccccc3)[nH]c(=O)c21| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 345.41 | Num_heavy_atoms: | 26 |
| TPSA: | 66.1 | NumAromaticRings: | 3 |
