Glycoside
GD086476
Name:
NoneFormula:
C15H31O9N3SSmiles:
CC(C)N1CCN(CC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1Aglycone:
CC(C)N1CCN(CC(N)=O)CC1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 429.49 | Num_heavy_atoms: | 28 |
| TPSA: | 175.42 | 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 |
AD27347
Formula: C9H19ON3
Smiles:
CC(C)N1CCN(CC(N)=O)CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 185.27 | Num_heavy_atoms: | 13 |
| TPSA: | 49.57 | NumAromaticRings: | 0 |
