Glycoside
GD129945
Name:
26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,â·.1¹â°,¹â´.1¹â·,²¹.0²â´,²â¹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decolFormula:
C38H64O29Smiles:
COC1C(O)C2COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(COC(O2)C1O)C(O)C(OC1OC(C)C(O)C(O)C1O)C5O)C(O)C4O)C(O)C(OC)C3OAglycone:
COC1C(O)C2COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(COC(O2)C1O)C(O)C(O)C5O)C(O)C4O)C(O)C(OC)C3OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 8 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -10.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 984.9 | Num_heavy_atoms: | 67 |
| TPSA: | 432.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD52647
Formula: C32H54O25
Smiles:
COC1C(O)C2COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(COC(O2)C1O)C(O)C(O)C5O)C(O)C4O)C(O)C(OC)C3O| HBA: | 25 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -9.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 838.76 | Num_heavy_atoms: | 57 |
| TPSA: | 373.75 | NumAromaticRings: | 0 |
