Glycoside
GD083756
Name:
NoneFormula:
C18H32O8NSSmiles:
CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CC(C)CC([NH3+])Cc1ccccc1.COS(O)(O)OSugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 422.52 | Num_heavy_atoms: | 28 |
| TPSA: | 156.45 | NumAromaticRings: | 1 |
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 |
AD37338
Formula: C12H20N
Smiles:
CC(C)CC([NH3+])Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 178.3 | Num_heavy_atoms: | 13 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
