Glycoside
GD003686
Name:
NoneFormula:
C26H47O9N5P2Smiles:
CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 21 |
| MolWt: | 635.64 | Num_heavy_atoms: | 42 |
| TPSA: | 212.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01495
Formula: C17H38O6P2
Smiles:
CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 6.42 | Num_rotatable_bonds: | 18 |
| MolWt: | 400.43 | Num_heavy_atoms: | 25 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
