Glycoside
GD107976
Name:
NoneFormula:
C24H31O11NSSmiles:
COCN1c2ccccc2S[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=OAglycone:
COCN1CSc2ccccc21Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.54 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 12 |
| MolWt: | 541.58 | Num_heavy_atoms: | 37 |
| TPSA: | 143.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD44353
Formula: C9H11ONS
Smiles:
COCN1CSc2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 181.26 | Num_heavy_atoms: | 12 |
| TPSA: | 12.47 | NumAromaticRings: | 1 |
