Glycoside
GD079639
Name:
NoneFormula:
C15H24O10N2SSmiles:
COc1cc(CCC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)ccn1Aglycone:
COS(O)(O)O.COc1cc(CCC(N)=O)ccn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 424.43 | Num_heavy_atoms: | 28 |
| TPSA: | 191.06 | 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 |
AD27501
Formula: C9H12O2N2
Smiles:
COc1cc(CCC(N)=O)ccn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 180.21 | Num_heavy_atoms: | 13 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
