Glycoside
GD020792
Name:
NoneFormula:
C14H20O8N6PSmiles:
CC(=O)NCCNc1ncnc2c1ncn2C1O[C@H](COP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
CC(=O)NCCNc1ncnc2c1N=C[N]2.COP(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 431.32 | Num_heavy_atoms: | 29 |
| TPSA: | 204.01 | NumAromaticRings: | 2 |
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 |
AD02675
Formula: C9H11ON6
Smiles:
CC(=O)NCCNc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 219.23 | Num_heavy_atoms: | 16 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
