Glycoside
GD005964
Name:
NoneFormula:
C21H28O6N2Smiles:
CCCCCCCCC#Cc1cc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(=O)nc2o1Aglycone:
CCCCCCCCC#Cc1cc2c[nH]c(=O)nc2o1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 404.46 | Num_heavy_atoms: | 29 |
| TPSA: | 117.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD04984
Formula: C16H20O2N2
Smiles:
CCCCCCCCC#Cc1cc2c[nH]c(=O)nc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 272.35 | Num_heavy_atoms: | 20 |
| TPSA: | 58.89 | NumAromaticRings: | 2 |
