Glycoside
GD119369
Name:
NoneFormula:
C21H23O11NSSmiles:
CC=C(C=C=S)C(=O)OC1C(C)OC(C2(O)CC(=O)C(N)=C(C(=O)O)C2=O)C(O)C1OC(C)=OAglycone:
CC=C(C=C=S)C(=O)O.NC1=C(C(=O)O)C(=O)C(O)CC1=OSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 497.48 | Num_heavy_atoms: | 34 |
| TPSA: | 199.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD03772
Formula: C7H7O5N
Smiles:
NC1=C(C(=O)O)C(=O)C(O)CC1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 185.13 | Num_heavy_atoms: | 13 |
| TPSA: | 117.69 | NumAromaticRings: | 0 |
AD47812
Formula: C6H6O2S
Smiles:
CC=C(C=C=S)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 142.18 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
