Glycoside
GD122073
Name:
6-cyclohexyl-4,7'-dihydroxy-15'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0â´,â¹]tricosane]-4',6',8',10',12',16'-hexaen-3'-oneFormula:
C43H62O10Smiles:
COC1CC(OC2C(C)=CCC3CC(CC4(CC(O)C(C)C(C5CCCCC5)O4)O3)OC(=O)c3cc(C)c(O)cc3C(C)=CC=CC2C)OC(C)C1OAglycone:
CC1=CC=CC(C)C(O)C(C)=CCC2CC(CC3(CC(O)C(C)C(C4CCCCC4)O3)O2)OC(=O)c2cc(C)c(O)cc21Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 7.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 738.96 | Num_heavy_atoms: | 53 |
| TPSA: | 133.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD49172
Formula: C36H50O7
Smiles:
CC1=CC=CC(C)C(O)C(C)=CCC2CC(CC3(CC(O)C(C)C(C4CCCCC4)O3)O2)OC(=O)c2cc(C)c(O)cc21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 6.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 594.79 | Num_heavy_atoms: | 43 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
