Glycoside
...
GD154245

Name:
1-{2-[3-(5-amino-2-hydroxypentyl)phenyl]ethenyl}-6-{[2-formyl-3-(1-hydroxycyclohexyl)phenyl]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:
C50H55O15N

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(C4(O)CCCCC4)c3C=O)c(O)c1C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CC(O)CCCN)c1)C(=O)c1cc(O)c(Cc3cccc(C4(O)CCCCC4)c3C=O)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 10 FractionCSP3: 0.4
AlogP: 3.48 Num_rotatable_bonds: 15
MolWt: 909.98 Num_heavy_atoms: 66
TPSA: 283.83 NumAromaticRings: 4

Unique Aglycone
AD57908
Formula: C44H45O10N

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CC(O)CCCN)c1)C(=O)c1cc(O)c(Cc3cccc(C4(O)CCCCC4)c3C=O)c(O)c1C2=O
HBA: 11 RingCount: 6
HBD: 7 FractionCSP3: 0.32
AlogP: 5.66 Num_rotatable_bonds: 13
MolWt: 747.84 Num_heavy_atoms: 55
TPSA: 204.68 NumAromaticRings: 4

Sugarmoiety
SD04321

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