Glycoside

GD067473
Name:
NoneFormula:
C16H22O7N2Smiles:
C#CCN1CC[C@]2(CCCN2C(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1=OAglycone:
C#CCN1CCC2(CCCN2C=O)C1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.75 |
AlogP: | -2.99 | Num_rotatable_bonds: | 2 |
MolWt: | 354.36 | Num_heavy_atoms: | 25 |
TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD32166
Formula: C11H14O2N2
Smiles:
C#CCN1CCC2(CCCN2C=O)C1=OHBA: | 4 | RingCount: | 2 |
HBD: | 0 | FractionCSP3: | 0.64 |
AlogP: | -0.16 | Num_rotatable_bonds: | 2 |
MolWt: | 206.24 | Num_heavy_atoms: | 15 |
TPSA: | 40.62 | NumAromaticRings: | 0 |