Glycoside
...
GD124626

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

Formula:
C42H38O13

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(CO)c3C=O)c(O)c1C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O)c(Cc3cccc(CO)c3C=O)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 6 FractionCSP3: 0.29
AlogP: 3.17 Num_rotatable_bonds: 9
MolWt: 750.75 Num_heavy_atoms: 55
TPSA: 217.35 NumAromaticRings: 4

Unique Aglycone
AD50358
Formula: C36H28O9

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O)c(Cc3cccc(CO)c3C=O)c(O)c1C2=O
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.17
AlogP: 4.67 Num_rotatable_bonds: 7
MolWt: 604.61 Num_heavy_atoms: 45
TPSA: 158.43 NumAromaticRings: 4

Sugarmoiety
SD00076

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