Glycoside
GD140008
Name:
NoneFormula:
C14H26O8N2S2Smiles:
CCSSCC(NCC1(O)OCC(O)C(O)C1O)C(O)=NCCC(=O)OAglycone:
CCSSCC(NC)C(O)=NCCC(=O)OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 414.5 | Num_heavy_atoms: | 26 |
| TPSA: | 172.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD56451
Formula: C9H18O3N2S2
Smiles:
CCSSCC(NC)C(O)=NCCC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 266.39 | Num_heavy_atoms: | 16 |
| TPSA: | 81.92 | NumAromaticRings: | 0 |
