Glycoside
GD089672
Name:
NoneFormula:
C18H29O10NSSmiles:
Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1Aglycone:
COS(O)(O)O.Cc1ccc(C(C)C)c(OCC(N)=O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 451.49 | Num_heavy_atoms: | 30 |
| TPSA: | 178.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD39085
Formula: C12H17O2N
Smiles:
Cc1ccc(C(C)C)c(OCC(N)=O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 207.27 | Num_heavy_atoms: | 15 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
