Glycoside
GD016729
Name:
NoneFormula:
C30H51O11N5P2ClSmiles:
CCCCCCCCCCCCCCCCOCC(Cl)COP(=O)([O-])OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCOCC(Cl)COP(=O)([O-])OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 26 |
| MolWt: | 743.15 | Num_heavy_atoms: | 48 |
| TPSA: | 233.66 | 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 |
AD12008
Formula: C21H42O8P2Cl
Smiles:
CCCCCCCCCCCCCCCCOCC(Cl)COP(=O)([O-])OP(=O)(O)OC| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 6.34 | Num_rotatable_bonds: | 23 |
| MolWt: | 507.95 | Num_heavy_atoms: | 31 |
| TPSA: | 114.35 | NumAromaticRings: | 0 |
