Glycoside
GD123425
Name:
5-chloro-9-({4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-8-hydroxy-10-(trideca-1,3,5,7,10-pentaen-1-yl)-3,4,5,8,9,10-hexahydro-2H-oxecin-2-oneFormula:
C35H49O10ClSmiles:
CCC=CCC=CC=CC=CC=CC1OC(=O)CCC(Cl)C=CC(O)C1OC1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1Aglycone:
CCC=CCC=CC=CC=CC=CC1OC(=O)CCC(Cl)C=CC(O)C1OSugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 653.21 | Num_heavy_atoms: | 45 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49806
Formula: C23H29O4Cl
Smiles:
CCC=CCC=CC=CC=CC=CC1OC(=O)CCC(Cl)C=CC(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.92 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
