Glycoside
GD015939
Name:
NoneFormula:
C19H23O4N3SSmiles:
O=C(NCCc1cccs1)[C@H](O)[C@H](O)C(=O)N1CCCC1c1ccccn1Aglycone:
NCCc1cccs1.c1ccc(C2CCCN2)nc1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 389.48 | Num_heavy_atoms: | 27 |
| TPSA: | 102.76 | 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 |
AD11530
Formula: C9H12N2
Smiles:
c1ccc(C2CCCN2)nc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.21 | Num_heavy_atoms: | 11 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
