Glycoside
GD122863
Name:
(6-hydroxy-8-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-2-yl)methyl 3-methylbutanoateFormula:
C21H32O11Smiles:
CC(C)CC(=O)OCC12C3OC4(O)CC(C)(O3)C1(OC1OC(CO)C(O)C(O)C1O)CC42Aglycone:
CC(C)CC(=O)OCC12C3OC4(O)CC(C)(O3)C1(O)CC42Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD49550
Formula: C15H22O6
Smiles:
CC(C)CC(=O)OCC12C3OC4(O)CC(C)(O3)C1(O)CC42| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.33 | Num_heavy_atoms: | 21 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
