Glycoside
GD002774
Name:
NoneFormula:
C16H24O12N5PSmiles:
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COP(=O)(O)OC[C@@H]3OC(O)[C@H](O)[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-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 509.37 | Num_heavy_atoms: | 34 |
| TPSA: | 258.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD02609
Formula: C11H16O7N5P
Smiles:
COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 361.25 | Num_heavy_atoms: | 24 |
| TPSA: | 168.61 | NumAromaticRings: | 1 |
