Glycoside
GD121518
Name:
14-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4,22-dihydroxy-24-(3-hydroxypentan-2-yl)-5,7,9,13,15,17,23-heptamethyl-1-oxacyclotetracosa-7,11,19-triene-2,6,10,18-tetroneFormula:
C42H68O13Smiles:
CCC(O)C(C)C1OC(=O)CC(O)C(C)C(=O)C(C)=CC(C)C(=O)C=CC(C)C(OC2OC(C)C(O)C(OC)C2O)C(C)CC(C)C(=O)C=CCC(O)C1CAglycone:
CCC(O)C(C)C1OC(=O)CC(O)C(C)C(=O)C(C)=CC(C)C(=O)C=CC(C)C(O)C(C)CC(C)C(=O)C=CCC(O)C1CSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 780.99 | Num_heavy_atoms: | 55 |
| TPSA: | 206.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD48921
Formula: C35H56O9
Smiles:
CCC(O)C(C)C1OC(=O)CC(O)C(C)C(=O)C(C)=CC(C)C(=O)C=CC(C)C(O)C(C)CC(C)C(=O)C=CCC(O)C1C| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 158.43 | NumAromaticRings: | 0 |
