Glycoside
GD035107
Name:
NoneFormula:
C21H26O4N2SSmiles:
O=C(NCCc1cccs1)[C@H](O)[C@H](O)C(=O)N1CCCCC1c1ccccc1Aglycone:
NCCc1cccs1.c1ccc(C2CCCCN2)cc1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 402.52 | Num_heavy_atoms: | 28 |
| TPSA: | 89.87 | NumAromaticRings: | 2 |
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 |
AD12244
Formula: C11H15N
Smiles:
c1ccc(C2CCCCN2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.25 | Num_heavy_atoms: | 12 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
