Glycoside
GD098739
Name:
NoneFormula:
C19H27O7N5SSmiles:
CCOC(=O)[C@@H](CCSC)NC(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CCOC(=O)C(CCSC)NC(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 469.52 | Num_heavy_atoms: | 32 |
| TPSA: | 168.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD42005
Formula: C14H18O3N5S
Smiles:
CCOC(=O)C(CCSC)NC(=O)Nc1ncnc2c1C=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 336.4 | Num_heavy_atoms: | 23 |
| TPSA: | 107.31 | NumAromaticRings: | 1 |
