Glycoside
GD026147
Name:
NoneFormula:
C22H31O10N3S2Smiles:
CCCCCC(=O)Nc1nnc(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)s1Aglycone:
CCCCCC(=O)Nc1nnc(S)s1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 12 |
| MolWt: | 561.64 | Num_heavy_atoms: | 37 |
| TPSA: | 169.31 | 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 |
AD17259
Formula: C8H13ON3S2
Smiles:
CCCCCC(=O)Nc1nnc(S)s1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 231.35 | Num_heavy_atoms: | 14 |
| TPSA: | 54.88 | NumAromaticRings: | 1 |
