Glycoside
GD010481
Name:
NoneFormula:
C17H26O4N2SSmiles:
CN(C(=O)[C@H](O)[C@H](O)C(=O)NCCc1cccs1)C1CCCCC1Aglycone:
CNC1CCCCC1.NCCc1cccs1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 354.47 | Num_heavy_atoms: | 24 |
| TPSA: | 89.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD02148
Formula: C6H9NS
Smiles:
NCCc1cccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.21 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
AD08088
Formula: C7H15N
Smiles:
CNC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 113.2 | Num_heavy_atoms: | 8 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
