Glycoside
GD079353
Name:
NoneFormula:
C14H30O9N2SSmiles:
CCN(CC)C(=O)C[C@H](C)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CCN(CC)C(=O)CC(C)N.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 402.47 | Num_heavy_atoms: | 26 |
| TPSA: | 172.18 | 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 |
AD25475
Formula: C8H18ON2
Smiles:
CCN(CC)C(=O)CC(C)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 158.24 | Num_heavy_atoms: | 11 |
| TPSA: | 46.33 | NumAromaticRings: | 0 |
