Glycoside
GD094804
Name:
NoneFormula:
C17H26O12N2SSmiles:
CCOC(=O)c1ccnc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1C(=O)OCCAglycone:
CCOC(=O)c1ccnc(N)c1C(=O)OCC.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 482.46 | Num_heavy_atoms: | 32 |
| TPSA: | 217.36 | 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 |
AD36518
Formula: C11H14O4N2
Smiles:
CCOC(=O)c1ccnc(N)c1C(=O)OCC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 91.51 | NumAromaticRings: | 1 |
