Glycoside
GD034064
Name:
NoneFormula:
C29H45O17N10P3Smiles:
CO[C@@H]1[C@H](OP(=O)(O)OC[C@@H]2CN(Cc3c[nH]c4c(N)ncnc34)C[C@H]2OP(=O)(O)OCCCO)[C@H](COP(=O)(O)OCCCO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(O)OCCCO.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1ncnc2c(CN3CC(COP(=O)(O)O)C(OP(=O)(O)OCCCO)C3)c[nH]c12Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 22 |
| MolWt: | 898.65 | Num_heavy_atoms: | 59 |
| TPSA: | 386.62 | 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 |
AD21434
Formula: C4H11O5P
Smiles:
COP(=O)(O)OCCCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.1 | Num_heavy_atoms: | 10 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD21697
Formula: C15H25O9N5P2
Smiles:
Nc1ncnc2c(CN3CC(COP(=O)(O)O)C(OP(=O)(O)OCCCO)C3)c[nH]c12| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 481.34 | Num_heavy_atoms: | 31 |
| TPSA: | 213.58 | NumAromaticRings: | 2 |
