Glycoside
GD120370
Name:
2-[2,4-dihydroxy-3,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrileFormula:
C20H31O14NSmiles:
N#CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
N#CC=C1C(O)CC(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.85 |
| AlogP: | -6.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 509.46 | Num_heavy_atoms: | 35 |
| TPSA: | 263.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD48351
Formula: C8H11O4N
Smiles:
N#CC=C1C(O)CC(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 185.18 | Num_heavy_atoms: | 13 |
| TPSA: | 104.71 | NumAromaticRings: | 0 |
