Glycoside
GD087308
Name:
NoneFormula:
C14H25O10N3SSmiles:
COCCn1nc(C)cc1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COCCn1nc(C)cc1C(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 427.43 | Num_heavy_atoms: | 28 |
| TPSA: | 195.99 | 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 |
AD27556
Formula: C8H13O2N3
Smiles:
COCCn1nc(C)cc1C(N)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 70.14 | NumAromaticRings: | 1 |
