Glycoside
GD024954
Name:
NoneFormula:
C21H35O15N7P3ISmiles:
O=C(CI)NCCC(=O)NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O=C(CI)NCCC(=O)NCCCCCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 20 |
| MolWt: | 845.37 | Num_heavy_atoms: | 47 |
| TPSA: | 323.34 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD16599
Formula: C16H23O2N7I
Smiles:
O=C(CI)NCCC(=O)NCCCCCCNc1ncnc2c1N=C[N]2| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 472.31 | Num_heavy_atoms: | 26 |
| TPSA: | 122.47 | NumAromaticRings: | 1 |
