Glycoside
GD088709
Name:
NoneFormula:
C16H31O10N2SSmiles:
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H]([NH2+][C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C2Aglycone:
CCOC(=O)N1C2CCC1CC([NH3+])C2.COS(O)(O)OSugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.5 | Num_heavy_atoms: | 29 |
| TPSA: | 185.99 | 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 |
AD31975
Formula: C10H19O2N2
Smiles:
CCOC(=O)N1C2CCC1CC([NH3+])C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 199.27 | Num_heavy_atoms: | 14 |
| TPSA: | 57.18 | NumAromaticRings: | 0 |
