Glycoside
GD087650
Name:
NoneFormula:
C14H22O10N2S2Smiles:
COC(=O)CSc1cccc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)n1Aglycone:
COC(=O)CSc1cccc(N)n1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 442.47 | 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 |
AD31641
Formula: C8H10O2N2S
Smiles:
COC(=O)CSc1cccc(N)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.25 | Num_heavy_atoms: | 13 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
