Glycoside

GD125197
Name:
5-hydroxy-6-{[3-(1-hydroxycyclopentyl)phenyl]methyl}-9,10-dioxo-1-(2-phenylethenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C42H40O11Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(C4(O)CCCC4)c3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(C4(O)CCCC4)c3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.31 |
AlogP: | 4.82 | Num_rotatable_bonds: | 8 |
MolWt: | 720.77 | Num_heavy_atoms: | 53 |
TPSA: | 180.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD50626
Formula: C36H30O7
Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(C4(O)CCCC4)c3)c(O)c1C2=OHBA: | 7 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 0.19 |
AlogP: | 6.32 | Num_rotatable_bonds: | 6 |
MolWt: | 574.63 | Num_heavy_atoms: | 43 |
TPSA: | 121.13 | NumAromaticRings: | 4 |