Glycoside
...
GD123539

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

Formula:
C40H36O10N2

Smiles:
CC(=O)Oc1ccc2c(c1-c1ccc3ccccc3c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O

Aglycone:
CC(=O)Oc1ccc2c(c1-c1ccc3ccccc3c1)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: 0.23
AlogP: 3.63 Num_rotatable_bonds: 7
MolWt: 704.73 Num_heavy_atoms: 52
TPSA: 211.86 NumAromaticRings: 5

Unique Aglycone
AD49871
Formula: C34H26O6N2

Smiles:
CC(=O)Oc1ccc2c(c1-c1ccc3ccccc3c1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O
HBA: 8 RingCount: 6
HBD: 6 FractionCSP3: 0.09
AlogP: 5.13 Num_rotatable_bonds: 5
MolWt: 558.59 Num_heavy_atoms: 42
TPSA: 152.94 NumAromaticRings: 5

Sugarmoiety
SD00076

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