Glycoside
GD032609
Name:
NoneFormula:
C15H17O5N9SSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4nncs4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Nc1nncs1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.43 | Num_heavy_atoms: | 30 |
| TPSA: | 189.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD20890
Formula: C8H5ON8S
Smiles:
O=C(Nc1nncs1)Nc1ncnc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.25 | Num_heavy_atoms: | 18 |
| TPSA: | 119.15 | NumAromaticRings: | 2 |
