Glycoside
...
GD131101

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

Formula:
C45H48O14N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CC(O)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(CC(O)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: 16 RingCount: 6
HBD: 11 FractionCSP3: 0.33
AlogP: 1.96 Num_rotatable_bonds: 15
MolWt: 840.88 Num_heavy_atoms: 61
TPSA: 289.62 NumAromaticRings: 4

Unique Aglycone
AD53122
Formula: C39H38O10N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CC(O)CCCO)c1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3C=O)c(O)c1C2=O
HBA: 12 RingCount: 5
HBD: 9 FractionCSP3: 0.23
AlogP: 3.46 Num_rotatable_bonds: 13
MolWt: 694.74 Num_heavy_atoms: 51
TPSA: 230.7 NumAromaticRings: 4

Sugarmoiety
SD00076

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