Glycoside
GD015660
Name:
NoneFormula:
C33H57O7N3Smiles:
CCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OC(=O)CCCCCCCCCCCAglycone:
CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 6.38 | Num_rotatable_bonds: | 24 |
| MolWt: | 607.83 | Num_heavy_atoms: | 43 |
| TPSA: | 142.97 | 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 |
AD00188
Formula: C12H24O2
Smiles:
CCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 200.32 | Num_heavy_atoms: | 14 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD11357
Formula: C13H26O2
Smiles:
CCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.92 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 214.35 | Num_heavy_atoms: | 15 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
