Glycoside
GD021728
Name:
NoneFormula:
C19H22O9N4SSmiles:
CSc1nc2c(nc(C)c(=O)n2C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)[nH]1Aglycone:
CSc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.47 | Num_heavy_atoms: | 33 |
| TPSA: | 168.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD14807
Formula: C8H8O2N4S
Smiles:
CSc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 224.25 | Num_heavy_atoms: | 15 |
| TPSA: | 91.5 | NumAromaticRings: | 2 |
