Glycoside
GD127139
Name:
13-hydroxy-16-(hydroxymethyl)-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-9,9,12-trimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-yl acetateFormula:
C37H60O11Smiles:
CC(=O)OC1C(C2(C)CCC(C(C)(C)O)O2)C2(CO)CCC34CC35CCC(OC3OCC(O)C(O)C3O)CC5C(C)(C)CC4C2(C)C1OAglycone:
CC(=O)OC1C(C2(C)CCC(C(C)(C)O)O2)C2(CO)CCC34CC35CCC(O)CC5C(C)(C)CC4C2(C)C1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 680.88 | Num_heavy_atoms: | 48 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51472
Formula: C32H52O7
Smiles:
CC(=O)OC1C(C2(C)CCC(C(C)(C)O)O2)C2(CO)CCC34CC35CCC(O)CC5C(C)(C)CC4C2(C)C1O| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.76 | Num_heavy_atoms: | 39 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
