Glycoside

GD099544
Name:
NoneFormula:
C17H25O9NS2Smiles:
CC(=O)OC[C@@H]1O[C@H](SC(=S)N(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CN(C)C(=S)S.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 10 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.71 |
AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
MolWt: | 451.52 | Num_heavy_atoms: | 29 |
TPSA: | 117.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD03763
Formula: C3H7NS2
Smiles:
CN(C)C(=S)SHBA: | 1 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.76 | Num_rotatable_bonds: | 0 |
MolWt: | 121.23 | Num_heavy_atoms: | 6 |
TPSA: | 3.24 | NumAromaticRings: | 0 |