Glycoside
GD102362
Name:
NoneFormula:
C23H32O8N2SSmiles:
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)[C@@H]2C1Aglycone:
CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.58 | Num_heavy_atoms: | 34 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD43321
Formula: C17H22O3N2S
Smiles:
CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.44 | Num_heavy_atoms: | 23 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
