Glycoside
GD038675
Name:
2'-o-3-aminopropyl cytidine-5'-monophosphateFormula:
C12H21O8N4PSmiles:
NCCCO[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1n1ccc(N)nc1=OAglycone:
COP(=O)(O)O.NCCCO.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 380.29 | Num_heavy_atoms: | 25 |
| TPSA: | 192.38 | 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 |
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03575
Formula: C3H9ON
Smiles:
NCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 75.11 | Num_heavy_atoms: | 5 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
