Glycoside
GD002204
Name:
NoneFormula:
C23H36O6N2Smiles:
CCCCCCCCCCCCC#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCCCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 436.55 | Num_heavy_atoms: | 31 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD02132
Formula: C18H28O2N2
Smiles:
CCCCCCCCCCCCC#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 304.43 | Num_heavy_atoms: | 22 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
