Glycoside
GD038340
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphateFormula:
C12H20O12N2P2Smiles:
CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1OAglycone:
CCCOP(=O)(O)OP(=O)(O)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 446.24 | Num_heavy_atoms: | 28 |
| TPSA: | 206.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD01738
Formula: C4H12O7P2
Smiles:
CCCOP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 234.08 | Num_heavy_atoms: | 13 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
