Glycoside
GD009246
Name:
NoneFormula:
C22H33O7N7SSmiles:
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](COS(=O)(=O)NC(=O)[C@H](N)[C@H](C)CC)[C@H](O)[C@H]3O)c2n1Aglycone:
CCC(C)C(N)C(=O)NS(=O)(=O)OC.CCCCC#Cc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 539.62 | Num_heavy_atoms: | 37 |
| TPSA: | 217.8 | NumAromaticRings: | 2 |
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 |
AD02797
Formula: C11H12N5
Smiles:
CCCCC#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.25 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
