Glycoside
...
GD124930

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

Formula:
C40H38O12N2

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

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 9 FractionCSP3: 0.25
AlogP: 2.28 Num_rotatable_bonds: 10
MolWt: 738.75 Num_heavy_atoms: 54
TPSA: 249.16 NumAromaticRings: 4

Unique Aglycone
AD46100
Formula: C34H28O8N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3C=O)c(O)c1C2=O
HBA: 10 RingCount: 5
HBD: 7 FractionCSP3: 0.12
AlogP: 3.78 Num_rotatable_bonds: 8
MolWt: 592.6 Num_heavy_atoms: 44
TPSA: 190.24 NumAromaticRings: 4

Sugarmoiety
SD00076

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