Glycoside
GD101557
Name:
NoneFormula:
C20H25O9N3SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc(C(N)=S)ccn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC(=S)c1ccnc(N)c1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 483.5 | Num_heavy_atoms: | 33 |
| TPSA: | 165.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 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 |
AD42989
Formula: C6H7N3S
Smiles:
NC(=S)c1ccnc(N)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.21 | Num_heavy_atoms: | 10 |
| TPSA: | 64.93 | NumAromaticRings: | 1 |
