Glycoside
GD007757
Name:
NoneFormula:
C38H34O6N4Smiles:
N#Cc1ccc(COCC(OCc2ccc(C#N)cc2)C(O)C(O)C(COCc2ccc(C#N)cc2)OCc2ccc(C#N)cc2)cc1Aglycone:
Cc1ccc(C#N)cc1.Cc1ccc(C#N)cc1.Cc1ccc(C#N)cc1.Cc1ccc(C#N)cc1Sugarmoiety:
OOCC(OO)C(O)C(O)C(COO)OOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 17 |
| MolWt: | 642.71 | Num_heavy_atoms: | 48 |
| TPSA: | 172.54 | NumAromaticRings: | 4 |
Unique Aglycone
AD01849
Formula: C8H7N
Smiles:
Cc1ccc(C#N)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 117.15 | Num_heavy_atoms: | 9 |
| TPSA: | 23.79 | NumAromaticRings: | 1 |
