Glycoside
GD039719
Name:
5'-o-[(r)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-o-(2-methoxyethyl)-5-methylcytidineFormula:
C13H22O8N3PSSmiles:
COCCO[C@H]1[C@@H](O)[C@@H](COP(O)(O)=S)O[C@@H]1n1cc(C)c(N)nc1=OAglycone:
COCCO.COP(O)(O)=S.Cc1c[nH]c(=O)nc1NSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 411.37 | Num_heavy_atoms: | 26 |
| TPSA: | 158.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD00206
Formula: CH5O3PS
Smiles:
COP(O)(O)=S| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.09 | Num_heavy_atoms: | 6 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD01886
Formula: C5H7ON3
Smiles:
Cc1c[nH]c(=O)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
