Glycoside
GD093423
Name:
NoneFormula:
C16H29O14NSSmiles:
CO[C@@H]1O[C@H](COS(O)(O)O)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@H](C)[C@H](O)[C@H]2O)[C@H]1NC(C)=OAglycone:
COS(O)(O)OSugarmoiety:
COC1OC(O)C(O)C(OC2OC(C(=O)O)C(C)C(O)C2O)C1NC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 491.47 | Num_heavy_atoms: | 32 |
| TPSA: | 233.93 | 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 |
