Glycoside
GD128116
Name:
Cdp-Dipalmitoyl-Sn-GlycerolFormula:
C44H81O15N3P2Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 9.36 | Num_rotatable_bonds: | 40 |
| MolWt: | 954.09 | Num_heavy_atoms: | 64 |
| TPSA: | 266.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD03816
Formula: C36H72O11P2
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC| HBA: | 11 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 11.28 | Num_rotatable_bonds: | 37 |
| MolWt: | 742.91 | Num_heavy_atoms: | 49 |
| TPSA: | 154.89 | NumAromaticRings: | 0 |
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 |
