Glycoside
GD040473
Name:
(2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acidFormula:
C14H21O7N3SSmiles:
C=S(CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1OAglycone:
C=S(C)CCC(N)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 375.4 | Num_heavy_atoms: | 25 |
| TPSA: | 167.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD24788
Formula: C6H13O2NS
Smiles:
C=S(C)CCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 163.24 | Num_heavy_atoms: | 10 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
