Glycoside
GD000943
Name:
NoneFormula:
C16H22O15N4P2Smiles:
C[C@@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]2O[C@H](n3cnc4c(O)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])OP(=O)([O-])O.Oc1ncnc2c1N=C[N]2Sugarmoiety:
CC1OOC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -4.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 572.31 | Num_heavy_atoms: | 37 |
| TPSA: | 291.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD00984
Formula: CH4O7P2
Smiles:
COP(=O)([O-])OP(=O)([O-])O| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.98 | Num_heavy_atoms: | 10 |
| TPSA: | 118.95 | NumAromaticRings: | 0 |
