Glycoside
GD008022
Name:
NoneFormula:
C15H19O7N4PSmiles:
Cc1ncnc2c1c1c(ccn1C)n2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Cc1ncnc2c1-c1c(ccn1C)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.31 | Num_heavy_atoms: | 27 |
| TPSA: | 152.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD06457
Formula: C10H9N4
Smiles:
Cc1ncnc2c1-c1c(ccn1C)[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 185.21 | Num_heavy_atoms: | 14 |
| TPSA: | 44.81 | NumAromaticRings: | 2 |
