Glycoside
...
GD135922

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

Formula:
C45H44O14

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)(O)C3O)c(Cc3cccc(C4(O)CCCCC4)c3C=O)c(O)c1C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(C4(O)CCCCC4)c3C=O)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 7 FractionCSP3: 0.33
AlogP: 3.84 Num_rotatable_bonds: 10
MolWt: 808.83 Num_heavy_atoms: 59
TPSA: 237.58 NumAromaticRings: 4

Unique Aglycone
AD54949
Formula: C39H34O9

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(C4(O)CCCCC4)c3C=O)c(O)c1C2=O
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.23
AlogP: 6.02 Num_rotatable_bonds: 8
MolWt: 646.69 Num_heavy_atoms: 48
TPSA: 158.43 NumAromaticRings: 4

Sugarmoiety
SD04321

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