Glycoside
GD095409
Name:
NoneFormula:
C18H29O11N2SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)[C@@H]2CC[NH2+]C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NS(=O)(=O)C1CC[NH2+]C1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.5 | Num_heavy_atoms: | 32 |
| TPSA: | 177.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD40730
Formula: C4H11O2N2S
Smiles:
NS(=O)(=O)C1CC[NH2+]C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.21 | Num_heavy_atoms: | 9 |
| TPSA: | 76.77 | NumAromaticRings: | 0 |
