Glycoside
GD005215
Name:
NoneFormula:
C26H46O6N2Smiles:
CCCCCCCCO[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cc(C)c(=O)n(CCCCCCCC)c1=OAglycone:
CCCCCCCCO.CCCCCCCCn1c(=O)[nH]cc(C)c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 17 |
| MolWt: | 482.66 | Num_heavy_atoms: | 34 |
| TPSA: | 102.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD00023
Formula: C8H18O
Smiles:
CCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD04456
Formula: C13H22O2N2
Smiles:
CCCCCCCCn1c(=O)[nH]cc(C)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 238.33 | Num_heavy_atoms: | 17 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
