Glycoside
GD014078
Name:
NoneFormula:
C44H81O15N3P2Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 9.11 | Num_rotatable_bonds: | 40 |
| MolWt: | 954.09 | Num_heavy_atoms: | 64 |
| TPSA: | 265.49 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
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 |
