Glycoside
GD038181
Name:
1-[(5e)-5,6-dideoxy-2-o-(2-methoxyethyl)-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1h,3h)-dioneFormula:
C14H21O9N2PSmiles:
COCCO[C@H]1[C@@H](O)[C@@H](C=CP(=O)(O)O)O[C@@H]1n1cc(C)c(=O)[nH]c1=OAglycone:
C=CP(=O)(O)O.COCCO.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.3 | Num_heavy_atoms: | 26 |
| TPSA: | 160.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
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 |
AD13039
Formula: C2H5O3P
Smiles:
C=CP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.03 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
