Glycoside
GD016121
Name:
NoneFormula:
C22H34O6N2Smiles:
CCCCCCCCCCCC#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 422.52 | Num_heavy_atoms: | 30 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD11646
Formula: C17H26O2N2
Smiles:
CCCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 290.41 | Num_heavy_atoms: | 21 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
