Glycoside
...
GD122797

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

Formula:
C43H44O13N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCCO)c1)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=Cc1cccc(CCCO)c1)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: 15 RingCount: 6
HBD: 10 FractionCSP3: 0.3
AlogP: 2.21 Num_rotatable_bonds: 13
MolWt: 796.83 Num_heavy_atoms: 58
TPSA: 269.39 NumAromaticRings: 4

Unique Aglycone
AD49521
Formula: C37H34O9N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCCO)c1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3C=O)c(O)c1C2=O
HBA: 11 RingCount: 5
HBD: 8 FractionCSP3: 0.19
AlogP: 3.71 Num_rotatable_bonds: 11
MolWt: 650.68 Num_heavy_atoms: 48
TPSA: 210.47 NumAromaticRings: 4

Sugarmoiety
SD00076

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