Glycoside
GD026905
Name:
NoneFormula:
C48H70O31N15P5Smiles:
CC(C)(C)C(=O)OCO[C@@H]1[C@H](COP(=O)(O)O[C@@H]2[C@H](OCOC(=O)C(C)(C)C)[C@H](COP(=O)(O)O[C@@H]3[C@H](OCOC(=O)C(C)(C)C)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]3n3cnc4ncnc(N)c43)O[C@H]2n2cnc3ncnc(N)c32)O[C@H](n2cnc3ncnc(N)c32)[C@H]1OAglycone:
CC(C)(C)C(=O)OCO.CC(C)(C)C(=O)OCO.CC(C)(C)C(=O)OCO.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1[N]C=N2.Nc1ncnc2c1[N]C=N2.Nc1ncnc2c1[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 46 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.62 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 29 |
| MolWt: | 1508.03 | Num_heavy_atoms: | 99 |
| TPSA: | 634.71 | 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 |
AD08369
Formula: C6H12O3
Smiles:
CC(C)(C)C(=O)OCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD08370
Formula: C5H4N5
Smiles:
Nc1ncnc2c1[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
