Glycoside
GD128551
Name:
2-[({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,11,12,16-pentamethyl-6-[(3,4,5-trihydroxyoxan-2-yl)methoxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-9-yl}oxy)methyl]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C44H74O14Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C2(C)CCC24CC25CCC(OCC2OCC(O)C(O)C2O)C(C)(C)C5C(OCC2OC(CO)C(O)C(O)C2O)CC34C)O1Aglycone:
COC1CC2(C)C3(C)CC(O)C(C4(C)CCC(C(C)(C)O)O4)C3(C)CCC23CC32CCC(OC)C(C)(C)C12Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 827.06 | Num_heavy_atoms: | 58 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD52072
Formula: C33H56O5
Smiles:
COC1CC2(C)C3(C)CC(O)C(C4(C)CCC(C(C)(C)O)O4)C3(C)CCC23CC32CCC(OC)C(C)(C)C12| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.81 | Num_heavy_atoms: | 38 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
