Glycoside
...
GD115793

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

Formula:
C40H38O10N2

Smiles:
CC(=O)Oc1ccc2c(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)Oc1ccc2c(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: 12 RingCount: 7
HBD: 8 FractionCSP3: 0.28
AlogP: 3.29 Num_rotatable_bonds: 7
MolWt: 706.75 Num_heavy_atoms: 52
TPSA: 211.86 NumAromaticRings: 4

Unique Aglycone
AD45868
Formula: C34H28O6N2

Smiles:
CC(=O)Oc1ccc2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O
HBA: 8 RingCount: 6
HBD: 6 FractionCSP3: 0.15
AlogP: 4.79 Num_rotatable_bonds: 5
MolWt: 560.61 Num_heavy_atoms: 42
TPSA: 152.94 NumAromaticRings: 4

Sugarmoiety
SD00076

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