Glycoside
GD028343
Name:
NoneFormula:
C20H29O5N2ClSSmiles:
CCCCc1ccnc(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)c1Aglycone:
CCCCc1ccnc(C(=O)NCC(C)Cl)c1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.97 | Num_heavy_atoms: | 28 |
| TPSA: | 111.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD18534
Formula: C14H19ON2Cl
Smiles:
CCCCc1ccnc(C(=O)NCC(C)Cl)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 254.76 | Num_heavy_atoms: | 17 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
