Glycoside
GD000758
Name:
NoneFormula:
C25H31O8N3SSmiles:
COc1ccc(O[C@H]([C@H](CO)OS(C)(=O)=O)[C@H](Oc2ccc(OC)cc2)c2cnc(N(C)C)nc2)cc1Aglycone:
CN(C)c1ncccn1.COc1ccccc1.COc1ccccc1Sugarmoiety:
COO.CS(=O)(=O)OC(CO)OC(O)OOOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 13 |
| MolWt: | 533.6 | Num_heavy_atoms: | 37 |
| TPSA: | 129.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD00247
Formula: C7H8O
Smiles:
COc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00806
Formula: C6H9N3
Smiles:
CN(C)c1ncccn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.16 | Num_heavy_atoms: | 9 |
| TPSA: | 29.02 | NumAromaticRings: | 1 |
