Glycoside
GD138402
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-(4-hydroxyphenyl)acetonitrileFormula:
C20H27O11NSmiles:
CC1OC(OC2C(OC(C#N)c3ccc(O)cc3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
N#CC(O)c1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.43 | Num_heavy_atoms: | 32 |
| TPSA: | 202.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD10967
Formula: C8H7O2N
Smiles:
N#CC(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.25 | NumAromaticRings: | 1 |
