Glycoside
GD102393
Name:
NoneFormula:
C21H33O8N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2csc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)N1CCCC1c1nc(C(=O)NCCO)cs1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 487.58 | Num_heavy_atoms: | 33 |
| TPSA: | 150.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD43333
Formula: C15H23O4N3S
Smiles:
CC(C)(C)OC(=O)N1CCCC1c1nc(C(=O)NCCO)cs1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 341.43 | Num_heavy_atoms: | 23 |
| TPSA: | 91.76 | NumAromaticRings: | 1 |
