Glycoside
GD030490
Name:
NoneFormula:
C18H32O14N7P3Smiles:
CC(=O)NCCCCCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
CC(=O)NCCCCCCNC1=Nc2c(N)ncnc2[N]1.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 16 |
| MolWt: | 663.41 | Num_heavy_atoms: | 42 |
| TPSA: | 320.26 | 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 |
AD17660
Formula: C13H20ON7
Smiles:
CC(=O)NCCCCCCNC1=Nc2c(N)ncnc2[N]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 290.35 | Num_heavy_atoms: | 21 |
| TPSA: | 119.39 | NumAromaticRings: | 1 |
