Glycoside
GD133053
Name:
2-(hydroxymethyl)-6-{[4,5,8-trihydroxy-8-methyl-2-(propan-2-yl)-decahydronaphthalen-1-yl]oxy}oxane-3,4,5-triolFormula:
C20H36O9Smiles:
CC(C)C1CC(O)C2C(O)CCC(C)(O)C2C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)C1CC(O)C2C(O)CCC(C)(O)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.5 | Num_heavy_atoms: | 29 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD53861
Formula: C14H26O4
Smiles:
CC(C)C1CC(O)C2C(O)CCC(C)(O)C2C1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.36 | Num_heavy_atoms: | 18 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
