Glycoside
GD120562
Name:
13,17-dihydroxy-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:
C37H60O12Smiles:
CC(=O)OC1C(O)C2(C)C3CC(C)(C)C4CC(OC5OCC(O)C(O)C5O)CCC45CC35CC(O)C2(CO)C1C1(C)CCC(C(C)(C)O)O1Aglycone:
CC(=O)OC1C(O)C2(C)C3CC(C)(C)C4CC(O)CCC45CC35CC(O)C2(CO)C1C1(C)CCC(C(C)(C)O)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 696.88 | Num_heavy_atoms: | 49 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD48452
Formula: C32H52O8
Smiles:
CC(=O)OC1C(O)C2(C)C3CC(C)(C)C4CC(O)CCC45CC35CC(O)C2(CO)C1C1(C)CCC(C(C)(C)O)O1| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 564.76 | Num_heavy_atoms: | 40 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
