Glycoside
...
GD144764

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

Formula:
C41H40O11N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 9 FractionCSP3: 0.29
AlogP: 2.79 Num_rotatable_bonds: 8
MolWt: 736.77 Num_heavy_atoms: 54
TPSA: 232.09 NumAromaticRings: 4

Unique Aglycone
AD58147
Formula: C35H30O7N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O
HBA: 9 RingCount: 6
HBD: 7 FractionCSP3: 0.17
AlogP: 4.28 Num_rotatable_bonds: 6
MolWt: 590.63 Num_heavy_atoms: 44
TPSA: 173.17 NumAromaticRings: 4

Sugarmoiety
SD00076

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