Glycoside
GD079124
Name:
NoneFormula:
C15H23O9N3SSmiles:
CC(=O)OC[C@H]1O[C@@H](NC(=S)NN)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NNC(N)=SSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.43 | Num_heavy_atoms: | 28 |
| TPSA: | 164.51 | NumAromaticRings: | 0 |
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 |
AD24821
Formula: CH5N3S
Smiles:
NNC(N)=S| HBA: | 3 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 91.14 | Num_heavy_atoms: | 5 |
| TPSA: | 64.07 | NumAromaticRings: | 0 |
