Glycoside
GD039868
Name:
[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamateFormula:
C20H30O7N6SSmiles:
CC(C)C[C@@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H](CCn2nnc(-c3ccccc3)n2)[C@H](O)[C@@H]1OAglycone:
CCn1nnc(-c2ccccc2)n1.COS(=O)(=O)NC(=O)C(N)CC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 498.56 | Num_heavy_atoms: | 34 |
| TPSA: | 191.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD02682
Formula: C7H16O4N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)CC(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.28 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
AD06783
Formula: C9H10N4
Smiles:
CCn1nnc(-c2ccccc2)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.21 | Num_heavy_atoms: | 13 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
