Glycoside
GD039074
Name:
[(2~{s})-3-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoateFormula:
C24H43O15N3P2Smiles:
CCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](N2CC=C(N)NC2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCAglycone:
CCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCC.NC1=CCNC(=O)N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 20 |
| MolWt: | 675.56 | Num_heavy_atoms: | 44 |
| TPSA: | 262.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD05211
Formula: C4H7ON3
Smiles:
NC1=CCNC(=O)N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.12 | Num_heavy_atoms: | 8 |
| TPSA: | 67.15 | NumAromaticRings: | 0 |
AD24266
Formula: C16H32O11P2
Smiles:
CCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCC| HBA: | 11 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 17 |
| MolWt: | 462.37 | Num_heavy_atoms: | 29 |
| TPSA: | 154.89 | NumAromaticRings: | 0 |
