Glycoside
...
GD146891

Name:
7-({3-[2-(2-aminopiperidin-1-ium-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-6-{[2-(2-azanidyl-6-oxo-6H-9λ⁵-purin-9-ylium-9-yl)cyclohexyl]methyl}-8-hydroxy-9,10-dioxo-tetradecahydroanthracen-1-yl

Formula:
C39H34O10N7

Smiles:
N=C1N=C(O)C2=[N+]C=[N+](c3ccccc3Cc3cc4c(c(O)c3OC3OC(CO)C(O)C(O)C3OCCc3ccnc(N)c3)C(=O)c3ccccc3C4=O)C2=N1

Aglycone:
N=C1N=C(O)C2=[NH+]C=[N+](c3ccccc3Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)C2=N1.Nc1cc(CCO)ccn1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 8 FractionCSP3: 0.23
AlogP: 0.95 Num_rotatable_bonds: 10
MolWt: 760.74 Num_heavy_atoms: 56
TPSA: 267.57 NumAromaticRings: 4

Unique Aglycone
AD53637
Formula: C7H10ON2

Smiles:
Nc1cc(CCO)ccn1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.29
AlogP: 0.2 Num_rotatable_bonds: 2
MolWt: 138.17 Num_heavy_atoms: 10
TPSA: 59.14 NumAromaticRings: 1
AD58859
Formula: C26H17O5N5

Smiles:
N=C1N=C(O)C2=[NH+]C=[N+](c3ccccc3Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)C2=N1
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.04
AlogP: 0.97 Num_rotatable_bonds: 3
MolWt: 479.45 Num_heavy_atoms: 36
TPSA: 160.38 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O