Glycoside
GD125234
Name:
NoneFormula:
C16H26O7N2SSmiles:
COC(=O)CSCC(O)=NCC1OC(CC(=O)N2CCCC2)C(O)C1OAglycone:
CC(=O)N1CCCC1.CN=C(O)CSCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 390.46 | Num_heavy_atoms: | 26 |
| TPSA: | 128.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD26841
Formula: C6H11ON
Smiles:
CC(=O)N1CCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
AD50645
Formula: C6H11O3NS
Smiles:
CN=C(O)CSCC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 177.22 | Num_heavy_atoms: | 11 |
| TPSA: | 58.89 | NumAromaticRings: | 0 |
