Glycoside
GD037815
Name:
2'-o-[2-[hydroxy(methyleneamino)oxy]ethyl thymidine-5'-monophosphateFormula:
C13H22O11N3PSmiles:
Cc1cn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2OCCONCO)c(=O)[nH]c1=OAglycone:
COP(=O)(O)O.Cc1c[nH]c(=O)[nH]c1=O.OCCONCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 427.3 | Num_heavy_atoms: | 28 |
| TPSA: | 201.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
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 |
AD23740
Formula: C3H9O3N
Smiles:
OCCONCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 107.11 | Num_heavy_atoms: | 7 |
| TPSA: | 61.72 | NumAromaticRings: | 0 |
