Glycoside
GD033864
Name:
NoneFormula:
C18H28O13N5PSmiles:
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COP(=O)(O)OCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=OAglycone:
Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(O)OCCO)O2)c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 553.42 | Num_heavy_atoms: | 37 |
| TPSA: | 267.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD21588
Formula: C12H18O8N5P
Smiles:
Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(O)OCCO)O2)c(=O)[nH]c1=O| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 391.28 | Num_heavy_atoms: | 26 |
| TPSA: | 188.84 | NumAromaticRings: | 1 |
