Glycoside
GD014089
Name:
NoneFormula:
C30H37O28N12P5Smiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(O)ncnc32)C(OP(=O)(O)OCC2OC(n3cnc4c(O)ncnc43)C(OP(=O)(O)OC[C@@H]3OC(n4cnc5c(O)ncnc54)[C@H](O)[C@H]3O)C2O)C1OAglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Oc1ncnc2c1N=C[N]2.Oc1ncnc2c1N=C[N]2.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)O1.OCC1OC(O)C(O)C1O.OCC1OC(O)OC1OOther Identifiers
Properties
| HBA: | 40 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.5 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 20 |
| MolWt: | 1168.55 | Num_heavy_atoms: | 75 |
| TPSA: | 571.44 | NumAromaticRings: | 6 |
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 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
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 |
