Glycoside
GD092139
Name:
NoneFormula:
C19H35O7N2SSmiles:
C[C@@H]1O[C@@H](OCC[NH2+][C@H]2CSC3(C2)CN(C(=O)OC(C)(C)C)C3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCO)CS2)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.56 | Num_heavy_atoms: | 29 |
| TPSA: | 125.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD40227
Formula: C13H25O3N2S
Smiles:
CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCO)CS2)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.42 | Num_heavy_atoms: | 19 |
| TPSA: | 66.38 | NumAromaticRings: | 0 |
