Glycoside
...
GD147467

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

Formula:
C43H42O15

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

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 8 FractionCSP3: 0.3
AlogP: 2.1 Num_rotatable_bonds: 13
MolWt: 798.79 Num_heavy_atoms: 58
TPSA: 257.81 NumAromaticRings: 4

Unique Aglycone
AD59057
Formula: C37H32O10

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCCO)c1)C(=O)c1cc(O)c(Cc3cccc(CO)c3C=O)c(O)c1C2=O
HBA: 10 RingCount: 5
HBD: 5 FractionCSP3: 0.19
AlogP: 4.28 Num_rotatable_bonds: 11
MolWt: 636.65 Num_heavy_atoms: 47
TPSA: 178.66 NumAromaticRings: 4

Sugarmoiety
SD04321

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