Glycoside
GD004186
Name:
NoneFormula:
C26H39O15N9P2Smiles:
CO[C@@H]1[C@H](O[P@@](=O)(NCCCCCC(=O)O)OC[C@@H]2C[C@H](O)[C@H](n3ccc(N)nc3=O)O2)[C@H](COP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(O)O.Nc1ccn(C2OC(COP(=O)(O)NCCCCCC(=O)O)CC2O)c(=O)n1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 18 |
| MolWt: | 779.59 | Num_heavy_atoms: | 52 |
| TPSA: | 350.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD03695
Formula: C15H25O8N4P
Smiles:
Nc1ccn(C2OC(COP(=O)(O)NCCCCCC(=O)O)CC2O)c(=O)n1| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 420.36 | Num_heavy_atoms: | 28 |
| TPSA: | 186.23 | NumAromaticRings: | 1 |
