Glycoside
GD149033
Name:
Sorbistin BFormula:
C14H29O9N3Smiles:
CC(O)=NC1C(CO)OC(OC(C(O)CN)C(N)C(O)CO)C(O)C1OAglycone:
NCC(O)C(O)C(N)C(O)COSugarmoiety:
CC(O)=NC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -4.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 383.4 | Num_heavy_atoms: | 26 |
| TPSA: | 224.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD02390
Formula: C6H16O4N2
Smiles:
NCC(O)C(O)C(N)C(O)CO| HBA: | 6 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 180.2 | Num_heavy_atoms: | 12 |
| TPSA: | 132.96 | NumAromaticRings: | 0 |
