Glycoside
GD152816
Name:
5-[6-(2-chloro-2-methylcyclopropyl)hexa-1,3-dien-5-yn-1-yl]-13-[(4,5-dihydroxy-3-methoxy-2,4,6-trimethyloxan-2-yl)oxy]-1-hydroxy-9-methoxy-5,7,10,12-tetramethyl-4,15-dioxabicyclo[9.3.1]pentadec-7-en-3-oneFormula:
C38H55O10ClSmiles:
COC1C=C(C)CC(C)(C=CC=CC#CC2CC2(C)Cl)OC(=O)CC2(O)CC(OC3(C)OC(C)C(O)C(C)(O)C3OC)C(C)C(O2)C1CAglycone:
COC1C=C(C)CC(C)(C=CC=CC#CC2CC2(C)Cl)OC(=O)CC2(O)CC(O)C(C)C(O2)C1CSugarmoiety:
COC1C(C)(O)OC(C)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 695.29 | Num_heavy_atoms: | 48 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD45446
Formula: C29H39O6Cl
Smiles:
COC1C=C(C)CC(C)(C=CC=CC#CC2CC2(C)Cl)OC(=O)CC2(O)CC(O)C(C)C(O2)C1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 507.07 | Num_heavy_atoms: | 35 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
