Glycoside
GD091403
Name:
NoneFormula:
C18H28O8N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2csc(COC(=O)C(C)(C)C)n2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)C(=O)OCc1nc(C(=O)NCCO)cs1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.5 | Num_heavy_atoms: | 29 |
| TPSA: | 147.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD39880
Formula: C12H18O4N2S
Smiles:
CC(C)(C)C(=O)OCc1nc(C(=O)NCCO)cs1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 286.35 | Num_heavy_atoms: | 19 |
| TPSA: | 88.52 | NumAromaticRings: | 1 |
