Glycoside
...
GD139865

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

Formula:
C42H42O14N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(OC3OC(C)C(O)C(O)(O)C3O)c(Cc3cccc(C(N)N)c3C=O)c(O)c1C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3C=O)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 11 FractionCSP3: 0.29
AlogP: 1.14 Num_rotatable_bonds: 12
MolWt: 798.8 Num_heavy_atoms: 58
TPSA: 289.62 NumAromaticRings: 4

Unique Aglycone
AD50826
Formula: C36H32O9N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCO)c1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3C=O)c(O)c1C2=O
HBA: 11 RingCount: 5
HBD: 8 FractionCSP3: 0.17
AlogP: 3.32 Num_rotatable_bonds: 10
MolWt: 636.66 Num_heavy_atoms: 47
TPSA: 210.47 NumAromaticRings: 4

Sugarmoiety
SD04321

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