Glycoside
GD071453
Name:
NoneFormula:
C16H28O6N2SSmiles:
CSCCCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OAglycone:
CSCCCN1CC2CCC(C1)N2C=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.48 | Num_heavy_atoms: | 25 |
| TPSA: | 113.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD33591
Formula: C11H20ON2S
Smiles:
CSCCCN1CC2CCC(C1)N2C=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.91 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 228.36 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 0 |
