Glycoside
GD003473
Name:
NoneFormula:
C18H23O11N9PSmiles:
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COP(=O)([O-])OC[C@@H]3O[C@H](n4cnc(C(N)=O)n4)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=OAglycone:
COP(=O)([O-])OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-].NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 572.41 | Num_heavy_atoms: | 39 |
| TPSA: | 294.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD03162
Formula: C11H15O7N5P
Smiles:
COP(=O)([O-])OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.24 | Num_heavy_atoms: | 24 |
| TPSA: | 171.44 | NumAromaticRings: | 1 |
