Glycoside

GD137321
Name:
15-hydroxy-3,17-dimethoxy-5-methyl-12-[(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)oxy]-9-oxatetracyclo[8.8.0.0²,â·.0¹¹,¹â¶]octadeca-1(10),2(7),3,5,11,13,15,17-octaen-8-oneFormula:
C27H28O10Smiles:
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c(OC3OC(C)C(O)C(C)(O)C3O)ccc(O)c12Aglycone:
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c(O)ccc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(C)(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.37 |
AlogP: | 2.73 | Num_rotatable_bonds: | 4 |
MolWt: | 512.51 | Num_heavy_atoms: | 37 |
TPSA: | 148.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD55484
Formula: C20H16O6
Smiles:
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c(O)ccc(O)c12HBA: | 6 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.15 |
AlogP: | 3.84 | Num_rotatable_bonds: | 2 |
MolWt: | 352.34 | Num_heavy_atoms: | 26 |
TPSA: | 89.13 | NumAromaticRings: | 4 |