Glycoside
GD101684
Name:
NoneFormula:
C21H26O9N2SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc(C(N)=S)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC(=S)c1ccc(N)cc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.51 | Num_heavy_atoms: | 33 |
| TPSA: | 152.48 | 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 |
AD43054
Formula: C7H8N2S
Smiles:
NC(=S)c1ccc(N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.22 | Num_heavy_atoms: | 10 |
| TPSA: | 52.04 | NumAromaticRings: | 1 |
