Glycoside
GD139854
Name:
(14-hydroxy-3,9-dimethyl-6-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8,10-trioxatetracyclo[9.3.1.0¹,â¹.0²,â·]pentadec-12-en-12-yl)methyl acetateFormula:
C23H32O13Smiles:
CC(=O)OCC1=C(OC2OC(CO)C(O)C(O)C2O)C(O)C23CC1OC2(C)OC1C(=O)OCC(C)C13Aglycone:
CC(=O)OCC1=C(O)C(O)C23CC1OC2(C)OC1C(=O)OCC(C)C13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.5 | Num_heavy_atoms: | 36 |
| TPSA: | 190.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD56403
Formula: C17H22O8
Smiles:
CC(=O)OCC1=C(O)C(O)C23CC1OC2(C)OC1C(=O)OCC(C)C13| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
