Glycoside
...
GD141611

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

Formula:
C45H49O14N3

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CC(O)CCCN)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(CC(O)CCCN)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: 17 RingCount: 6
HBD: 13 FractionCSP3: 0.33
AlogP: 1.24 Num_rotatable_bonds: 15
MolWt: 855.89 Num_heavy_atoms: 62
TPSA: 315.64 NumAromaticRings: 4

Unique Aglycone
AD48317
Formula: C39H39O9N3

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CC(O)CCCN)c1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3C=O)c(O)c1C2=O
HBA: 12 RingCount: 5
HBD: 10 FractionCSP3: 0.23
AlogP: 3.42 Num_rotatable_bonds: 13
MolWt: 693.75 Num_heavy_atoms: 51
TPSA: 236.49 NumAromaticRings: 4

Sugarmoiety
SD04321

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