Glycoside
...
GD121624

Name:
5-hydroxy-6-(4-hydroxybutyl)-4-(hydroxymethyl)-9,10-dioxo-1-(2-phenylethenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetate

Formula:
C35H36O12

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(CCCCO)c(O)c1C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(CCCCO)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.34
AlogP: 2.28 Num_rotatable_bonds: 10
MolWt: 648.66 Num_heavy_atoms: 47
TPSA: 200.28 NumAromaticRings: 3

Unique Aglycone
AD48968
Formula: C29H26O8

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(CCCCO)c(O)c1C2=O
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.21
AlogP: 3.78 Num_rotatable_bonds: 8
MolWt: 502.52 Num_heavy_atoms: 37
TPSA: 141.36 NumAromaticRings: 3

Sugarmoiety
SD00076

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