Glycoside
GD149560
Name:
1,2-Ditetradec-7-Enoyl-Sn-Glycero-3-Cytidine 5'-DiphosphateFormula:
C40H69O15N3P2Smiles:
CCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCAglycone:
CCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCC=CCCCCCC.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 7.35 | Num_rotatable_bonds: | 34 |
| MolWt: | 893.95 | Num_heavy_atoms: | 60 |
| TPSA: | 266.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
AD59793
Formula: C32H60O11P2
Smiles:
CCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCC=CCCCCCC| HBA: | 11 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 9.28 | Num_rotatable_bonds: | 31 |
| MolWt: | 682.77 | Num_heavy_atoms: | 45 |
| TPSA: | 154.89 | NumAromaticRings: | 0 |
