Glycoside
GD119439
Name:
NoneFormula:
C19H29O5N3Smiles:
COCC1CCCN1C(=O)CC1OC(CNCc2ccccn2)C(O)C1OAglycone:
CNCc1ccccn1.COCC1CCCN1C(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 379.46 | Num_heavy_atoms: | 27 |
| TPSA: | 104.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD20141
Formula: C7H10N2
Smiles:
CNCc1ccccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
AD23210
Formula: C8H15O2N
Smiles:
COCC1CCCN1C(C)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
