Glycoside
GD102622
Name:
NoneFormula:
C22H32O7N2SSmiles:
CC(C)C(=O)N1CCC(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)CC1Aglycone:
CC(C)C(=O)N1CCC(C(=O)Nc2ccc(S)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.57 | Num_heavy_atoms: | 32 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD43445
Formula: C16H22O2N2S
Smiles:
CC(C)C(=O)N1CCC(C(=O)Nc2ccc(S)cc2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.43 | Num_heavy_atoms: | 21 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
