Glycoside
GD013501
Name:
NoneFormula:
C22H37O15N7P3ISmiles:
CN(CCCCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1O)C(=O)CCCNC(=O)CIAglycone:
CN(CCCCN(C)c1ncnc2c1N=C[N]2)C(=O)CCCNC(=O)CI.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 19 |
| MolWt: | 859.4 | Num_heavy_atoms: | 48 |
| TPSA: | 305.76 | 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 |
AD10066
Formula: C17H25O2N7I
Smiles:
CN(CCCCN(C)c1ncnc2c1N=C[N]2)C(=O)CCCNC(=O)CI| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 11 |
| MolWt: | 486.34 | Num_heavy_atoms: | 27 |
| TPSA: | 104.89 | NumAromaticRings: | 1 |
