Glycoside
GD030367
Name:
NoneFormula:
C31H40O8N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc3ccccc23)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CCCCCCCCCCOc1cccc2ccccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 17 |
| MolWt: | 656.76 | Num_heavy_atoms: | 46 |
| TPSA: | 201.01 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD19652
Formula: C22H31O5NS
Smiles:
COS(=O)(=O)NC(=O)CCCCCCCCCCOc1cccc2ccccc12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 14 |
| MolWt: | 421.56 | Num_heavy_atoms: | 29 |
| TPSA: | 81.7 | NumAromaticRings: | 2 |
