Glycoside
GD021051
Name:
NoneFormula:
C18H30O14N5P3Smiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)(O)O)[C@H](O)[C@H]2O)c2nc(NCC3CCCCC3)[nH]c(=O)c21Aglycone:
COP(=O)(O)OP(=O)([O-])OP(=O)(O)O.C[N+]1=C[N]c2nc(NCC3CCCCC3)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 633.38 | Num_heavy_atoms: | 40 |
| TPSA: | 278.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD14443
Formula: CH6O10P3
Smiles:
COP(=O)(O)OP(=O)([O-])OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.97 | Num_heavy_atoms: | 14 |
| TPSA: | 162.65 | NumAromaticRings: | 0 |
AD14444
Formula: C13H19ON5
Smiles:
C[N+]1=C[N]c2nc(NCC3CCCCC3)[nH]c(=O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 261.33 | Num_heavy_atoms: | 19 |
| TPSA: | 74.89 | NumAromaticRings: | 1 |
