Glycoside
GD014645
Name:
NoneFormula:
C21H38O12N8P2Smiles:
NCCCCCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2NC[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O.NCCCCCCNC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.76 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 16 |
| MolWt: | 656.53 | Num_heavy_atoms: | 43 |
| TPSA: | 312.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD01888
Formula: C6H15O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.13 | Num_heavy_atoms: | 18 |
| TPSA: | 154.78 | NumAromaticRings: | 0 |
AD10746
Formula: C11H18N7
Smiles:
NCCCCCCNC1=Nc2c(N)ncnc2[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 248.31 | Num_heavy_atoms: | 18 |
| TPSA: | 116.31 | NumAromaticRings: | 1 |
