Glycoside
...
GD000044

Name:
None

Formula:
C44H69O9N17

Smiles:
C[N+](C)(CCCC(=O)NCCOC1CCCCCc2c1nnn2CCNC(=O)CCC[N+](C)(C)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O

Aglycone:
C[N+](C)(C)CCCC(=O)NCCOC1CCCCCc2c1nnn2CCNC(=O)CCC[N+](C)(C)C.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 8
HBD: 10 FractionCSP3: 0.68
AlogP: -1.52 Num_rotatable_bonds: 21
MolWt: 980.15 Num_heavy_atoms: 70
TPSA: 336.76 NumAromaticRings: 5

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD00063
Formula: C26H51O3N7

Smiles:
C[N+](C)(C)CCCC(=O)NCCOC1CCCCCc2c1nnn2CCNC(=O)CCC[N+](C)(C)C
HBA: 10 RingCount: 2
HBD: 2 FractionCSP3: 0.85
AlogP: 1.66 Num_rotatable_bonds: 15
MolWt: 509.74 Num_heavy_atoms: 36
TPSA: 98.14 NumAromaticRings: 1

Sugarmoiety
SD00025

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O