Glycoside
GD008904
Name:
NoneFormula:
C26H44O16N8P3ISmiles:
CN(CCCCN(C)C(=O)CCCNc1ncnc2c1ncn2[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)C(=O)CCCNc1ncnc2c1N=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: | 24 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 23 |
| MolWt: | 944.5 | Num_heavy_atoms: | 54 |
| TPSA: | 334.86 | 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 |
AD07051
Formula: C21H32O3N8I
Smiles:
CN(CCCCN(C)C(=O)CCCNc1ncnc2c1N=C[N]2)C(=O)CCCNC(=O)CI| HBA: | 11 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 15 |
| MolWt: | 571.44 | Num_heavy_atoms: | 33 |
| TPSA: | 133.99 | NumAromaticRings: | 1 |
