Glycoside
GD006338
Name:
NoneFormula:
C16H26O9N4SSmiles:
CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2ccc(=O)n(C)c2=O)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)NS(=O)(=O)OC.Cn1c(=O)cc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.47 | Num_heavy_atoms: | 30 |
| TPSA: | 192.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD01496
Formula: C7H16O4N2S
Smiles:
CCC(C)C(N)C(=O)NS(=O)(=O)OC| 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 |
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 |
