Glycoside
...
GD130699

Name:
6-{[2-formyl-3-(1-hydroxycyclopentyl)phenyl]methyl}-5-hydroxy-1-{2-[3-(2-hydroxyethyl)phenyl]ethenyl}-4-(hydroxymethyl)-9,10-dioxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetate

Formula:
C46H46O14

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(C4(O)CCCC4)c3C=O)c(O)c1C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(Cc3cccc(C4(O)CCCC4)c3C=O)c(O)c1C2=O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 7 FractionCSP3: 0.35
AlogP: 3.66 Num_rotatable_bonds: 12
MolWt: 822.86 Num_heavy_atoms: 60
TPSA: 237.58 NumAromaticRings: 4

Unique Aglycone
AD48614
Formula: C40H36O10

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(Cc3cccc(C4(O)CCCC4)c3C=O)c(O)c1C2=O
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.25
AlogP: 5.16 Num_rotatable_bonds: 10
MolWt: 676.72 Num_heavy_atoms: 50
TPSA: 178.66 NumAromaticRings: 4

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O