Glycoside
GD024155
Name:
NoneFormula:
C17H23O5N3SSmiles:
CCOC(=O)CCSC[C@@H]1O[C@H](n2cnc3c(N)cccc32)[C@H](O)[C@H]1OAglycone:
CCOC(=O)CCSC.Nc1cccc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 381.45 | Num_heavy_atoms: | 26 |
| TPSA: | 119.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD03003
Formula: C7H6N3
Smiles:
Nc1cccc2c1N=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.15 | Num_heavy_atoms: | 10 |
| TPSA: | 52.48 | NumAromaticRings: | 1 |
AD05894
Formula: C6H12O2S
Smiles:
CCOC(=O)CCSC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 148.23 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
