Glycoside
...
GD142652

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

Formula:
C45H46O16

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CC(O)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(CC(O)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: 16 RingCount: 6
HBD: 9 FractionCSP3: 0.33
AlogP: 1.85 Num_rotatable_bonds: 15
MolWt: 842.85 Num_heavy_atoms: 61
TPSA: 278.04 NumAromaticRings: 4

Unique Aglycone
AD57408
Formula: C39H36O11

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CC(O)CCCO)c1)C(=O)c1cc(O)c(Cc3cccc(CO)c3C=O)c(O)c1C2=O
HBA: 11 RingCount: 5
HBD: 6 FractionCSP3: 0.23
AlogP: 4.03 Num_rotatable_bonds: 13
MolWt: 680.71 Num_heavy_atoms: 50
TPSA: 198.89 NumAromaticRings: 4

Sugarmoiety
SD04321

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