Glycoside
GD002331
Name:
NoneFormula:
C30H32O10N4SSmiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.NC(=S)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 640.67 | Num_heavy_atoms: | 45 |
| TPSA: | 171.16 | NumAromaticRings: | 2 |
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 |
AD02235
Formula: C16H14ON4S
Smiles:
NC(=S)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.38 | Num_heavy_atoms: | 22 |
| TPSA: | 70.72 | NumAromaticRings: | 2 |
