Glycoside
GD076649
Name:
NoneFormula:
C14H17O8N3SSmiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1ncc(=O)[nH]c1=SAglycone:
O=c1cn[nH]c(=S)[nH]1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.37 | Num_heavy_atoms: | 26 |
| TPSA: | 138.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD10758
Formula: C3H3ON3S
Smiles:
O=c1cn[nH]c(=S)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.14 | Num_heavy_atoms: | 8 |
| TPSA: | 61.54 | NumAromaticRings: | 1 |
