Glycoside
GD094126
Name:
NoneFormula:
C15H28O11N2S2Smiles:
CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)N1CCSC1C(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.53 | Num_heavy_atoms: | 30 |
| TPSA: | 198.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD34515
Formula: C9H16O3N2S
Smiles:
CC(C)(C)OC(=O)N1CCSC1C(N)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 232.3 | Num_heavy_atoms: | 15 |
| TPSA: | 72.63 | NumAromaticRings: | 0 |
