Glycoside
GD031918
Name:
NoneFormula:
C22H33O5N2ClSSmiles:
CCCCCCc1ccnc(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)c1Aglycone:
CCCCCCc1ccnc(C(=O)NCC(C)Cl)c1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 461.02 | Num_heavy_atoms: | 30 |
| TPSA: | 111.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD20522
Formula: C16H23ON2Cl
Smiles:
CCCCCCc1ccnc(C(=O)NCC(C)Cl)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 282.81 | Num_heavy_atoms: | 19 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
