Glycoside

GD073571
Name:
NoneFormula:
C14H22O9N2SSmiles:
CC1(C)[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)N2C(=O)C[C@H]2S1(=O)=OAglycone:
CC1(C)C(C(N)=O)N2C(=O)CC2S1(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.86 |
AlogP: | -3.96 | Num_rotatable_bonds: | 3 |
MolWt: | 394.4 | Num_heavy_atoms: | 26 |
TPSA: | 173.7 | NumAromaticRings: | 0 |
Unique Aglycone
AD34083
Formula: C8H12O4N2S
Smiles:
CC1(C)C(C(N)=O)N2C(=O)CC2S1(=O)=OHBA: | 6 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.75 |
AlogP: | -1.39 | Num_rotatable_bonds: | 1 |
MolWt: | 232.26 | Num_heavy_atoms: | 15 |
TPSA: | 97.54 | NumAromaticRings: | 0 |