Glycoside
GD150074
Name:
4-hydroxy-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]cyclopent-2-ene-1-carbonitrileFormula:
C18H27O11NSmiles:
CC1OC(OCC2OC(OC3(C#N)C=CC(O)C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
N#CC1(O)C=CC(O)C1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.41 | Num_heavy_atoms: | 30 |
| TPSA: | 202.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD50072
Formula: C6H7O2N
Smiles:
N#CC1(O)C=CC(O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 64.25 | NumAromaticRings: | 0 |
