Glycoside
GD019045
Name:
NoneFormula:
C33H51O17N8P3Smiles:
CN(CCCN(C)C(=O)CCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1O)C(=O)CCCCNC(=O)OCc1ccccc1Aglycone:
CN(CCCN(C)C(=O)CCCCNc1ncnc2c1N=C[N]2)C(=O)CCCCNC(=O)OCc1ccccc1.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.58 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 25 |
| MolWt: | 924.73 | Num_heavy_atoms: | 61 |
| TPSA: | 344.09 | NumAromaticRings: | 3 |
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 |
AD04183
Formula: C28H39O4N8
Smiles:
CN(CCCN(C)C(=O)CCCCNc1ncnc2c1N=C[N]2)C(=O)CCCCNC(=O)OCc1ccccc1| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 17 |
| MolWt: | 551.67 | Num_heavy_atoms: | 40 |
| TPSA: | 143.22 | NumAromaticRings: | 2 |
