Glycoside
GD027968
Name:
NoneFormula:
C28H45O17N10P3Smiles:
CO[C@@H]1[C@H](OP(=O)(O)OCCCO)[C@H](COP(=O)(O)OCC(CNCc2c[nH]c3c(N)ncnc23)COP(=O)(O)OCCCO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(O)OCC(CNCc1c[nH]c2c(N)ncnc12)COP(=O)(O)OCCCO.Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=P(O)(O)OCCCOSugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.61 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 25 |
| MolWt: | 886.64 | Num_heavy_atoms: | 58 |
| TPSA: | 395.41 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
AD05278
Formula: C3H9O5P
Smiles:
O=P(O)(O)OCCCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 156.07 | Num_heavy_atoms: | 9 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
AD18321
Formula: C15H27O9N5P2
Smiles:
COP(=O)(O)OCC(CNCc1c[nH]c2c(N)ncnc12)COP(=O)(O)OCCCO| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 15 |
| MolWt: | 483.36 | Num_heavy_atoms: | 31 |
| TPSA: | 211.37 | NumAromaticRings: | 2 |
