Glycoside
GD029692
Name:
NoneFormula:
C42H42O8N2SSmiles:
COc1ccc(O[C@H]([C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)[C@H](Oc2ccc(OC)cc2)c2cnn(C)c2)cc1Aglycone:
COc1ccccc1.COc1ccccc1.Cn1cccn1.c1ccc(C(c2ccccc2)c2ccccc2)cc1Sugarmoiety:
COO.CS(=O)(=O)OC(COO)OC(O)OOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 7.36 | Num_rotatable_bonds: | 17 |
| MolWt: | 734.87 | Num_heavy_atoms: | 53 |
| TPSA: | 107.34 | NumAromaticRings: | 6 |
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 |
AD00424
Formula: C19H16
Smiles:
c1ccc(C(c2ccccc2)c2ccccc2)cc1| HBA: | 0 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.05 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.34 | Num_heavy_atoms: | 19 |
| TPSA: | 0.0 | NumAromaticRings: | 3 |
AD08129
Formula: C4H6N2
Smiles:
Cn1cccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 82.11 | Num_heavy_atoms: | 6 |
| TPSA: | 17.82 | NumAromaticRings: | 1 |
