Glycoside
GD077567
Name:
NoneFormula:
C18H28O5N2SSmiles:
Cc1ccc(C2=NN[C@H]([C@](C)(O)[C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1Aglycone:
Cc1ccc(C2=NNCS2)cc1Sugarmoiety:
CC(O)(O)C(C)(O)C(C)(O)C(C)(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.5 | Num_heavy_atoms: | 26 |
| TPSA: | 125.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD02203
Formula: C9H10N2S
Smiles:
Cc1ccc(C2=NNCS2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.26 | Num_heavy_atoms: | 12 |
| TPSA: | 24.39 | NumAromaticRings: | 1 |
