Glycoside
...
GD125065

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

Formula:
C45H47O14N

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

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 9 FractionCSP3: 0.33
AlogP: 2.5 Num_rotatable_bonds: 15
MolWt: 825.86 Num_heavy_atoms: 60
TPSA: 263.6 NumAromaticRings: 4

Unique Aglycone
AD50569
Formula: C39H37O10N

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CC(O)CCCN)c1)C(=O)c1cc(O)c(Cc3cccc(CO)c3C=O)c(O)c1C2=O
HBA: 11 RingCount: 5
HBD: 7 FractionCSP3: 0.23
AlogP: 4.0 Num_rotatable_bonds: 13
MolWt: 679.72 Num_heavy_atoms: 50
TPSA: 204.68 NumAromaticRings: 4

Sugarmoiety
SD00076

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