Glycoside
...
GD118111

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

Formula:
C42H44O13N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCCO)c1)C(=O)c1cc(OC3OC(C)C(O)C(O)(O)C3O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCCO)c1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 11 FractionCSP3: 0.31
AlogP: 1.71 Num_rotatable_bonds: 12
MolWt: 784.82 Num_heavy_atoms: 57
TPSA: 272.55 NumAromaticRings: 4

Unique Aglycone
AD47192
Formula: C36H34O8N2

Smiles:
CC(=O)Oc1cc(CO)c2c(c1C=Cc1cccc(CCCO)c1)C(=O)c1cc(O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O
HBA: 10 RingCount: 5
HBD: 8 FractionCSP3: 0.19
AlogP: 3.89 Num_rotatable_bonds: 10
MolWt: 622.67 Num_heavy_atoms: 46
TPSA: 193.4 NumAromaticRings: 4

Sugarmoiety
SD04321

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