Glycoside
...
GD144076

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

Formula:
C41H40O12

Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1cccc(CCCO)c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(CO)c3)c(O)c1C2=O

Aglycone:
CC(=O)Oc1ccc2c(c1C=Cc1cccc(CCCO)c1)C(=O)c1cc(O)c(Cc3cccc(CO)c3)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.29
AlogP: 3.48 Num_rotatable_bonds: 11
MolWt: 724.76 Num_heavy_atoms: 53
TPSA: 200.28 NumAromaticRings: 4

Unique Aglycone
AD57916
Formula: C35H30O8

Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1cccc(CCCO)c1)C(=O)c1cc(O)c(Cc3cccc(CO)c3)c(O)c1C2=O
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.17
AlogP: 4.98 Num_rotatable_bonds: 9
MolWt: 578.62 Num_heavy_atoms: 43
TPSA: 141.36 NumAromaticRings: 4

Sugarmoiety
SD00076

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