Glycoside
GD007168
Name:
NoneFormula:
C21H31O7N5SSmiles:
CCCOC(=O)C(CCSC[C@@H]1OC(n2ccc3c(N)ncnc32)[C@H](O)[C@H]1O)NC(=O)COCAglycone:
CCCOC(=O)C(CCSC)NC(=O)COC.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 497.57 | Num_heavy_atoms: | 34 |
| TPSA: | 171.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD05859
Formula: C11H21O4NS
Smiles:
CCCOC(=O)C(CCSC)NC(=O)COC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 263.36 | Num_heavy_atoms: | 17 |
| TPSA: | 64.63 | NumAromaticRings: | 0 |
