Glycoside
GD004848
Name:
NoneFormula:
C33H50O14N8P2Smiles:
CN(CCCN(C)C(=O)CCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=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)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 23 |
| MolWt: | 844.75 | Num_heavy_atoms: | 57 |
| TPSA: | 297.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | 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 |
