Glycoside
GD030831
Name:
NoneFormula:
C21H32O6N2Smiles:
CCCCCCCCCCC#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 408.5 | Num_heavy_atoms: | 29 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD09986
Formula: C16H24O2N2
Smiles:
CCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 276.38 | Num_heavy_atoms: | 20 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
