Glycoside
GD080308
Name:
NoneFormula:
C14H23O9N3SSmiles:
CC(C)(C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1cnccn1Aglycone:
CC(C)(C(N)=O)c1cnccn1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.42 | Num_heavy_atoms: | 27 |
| TPSA: | 194.72 | 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 |
AD28906
Formula: C8H11ON3
Smiles:
CC(C)(C(N)=O)c1cnccn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.2 | Num_heavy_atoms: | 12 |
| TPSA: | 68.87 | NumAromaticRings: | 1 |
