Glycoside
GD040449
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamateFormula:
C19H24O10N4SSmiles:
Cn1c(=O)ccn([C@H]2O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)Cc3ccc(O)cc3)[C@H](O)[C@@H]2O)c1=OAglycone:
COS(=O)(=O)NC(=O)C(N)Cc1ccc(O)cc1.Cn1c(=O)cc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 500.49 | Num_heavy_atoms: | 34 |
| TPSA: | 212.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD03727
Formula: C10H14O5N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.3 | Num_heavy_atoms: | 18 |
| TPSA: | 118.72 | NumAromaticRings: | 1 |
AD03792
Formula: C5H6O2N2
Smiles:
Cn1c(=O)cc[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
