Glycoside
GD139601
Name:
6-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-14-hydroxy-7,7,12,16-tetramethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-9-oneFormula:
C40H66O14Smiles:
CC(CC(O)C(O)C(C)(C)O)C1C(O)CC2(C)C3CC(=O)C4C(C)(C)C(OC5OCC(O)C(O)C5OC5OCC(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(CC(O)C(O)C(C)(C)O)C1C(O)CC2(C)C3CC(=O)C4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OC1COC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 770.95 | Num_heavy_atoms: | 54 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD56293
Formula: C30H50O6
Smiles:
CC(CC(O)C(O)C(C)(C)O)C1C(O)CC2(C)C3CC(=O)C4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 506.72 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
