Glycoside
...
GD147048

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

Formula:
C31H30O12

Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(CO)c3)c(O)c1C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c(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: 5
HBD: 6 FractionCSP3: 0.32
AlogP: 0.87 Num_rotatable_bonds: 7
MolWt: 594.57 Num_heavy_atoms: 43
TPSA: 200.28 NumAromaticRings: 3

Unique Aglycone
AD58902
Formula: C25H20O8

Smiles:
CC(=O)Oc1cc(CO)c2c(c1)C(=O)c1cc(O)c(Cc3cccc(CO)c3)c(O)c1C2=O
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.16
AlogP: 2.37 Num_rotatable_bonds: 5
MolWt: 448.43 Num_heavy_atoms: 33
TPSA: 141.36 NumAromaticRings: 3

Sugarmoiety
SD00076

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