Glycoside
...
GD089436

Name:
None

Formula:
C21H27O5N6

Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[NH+](Cc5cccc(O)c5)CC4)ncnc32)[C@H](O)[C@@H]1O

Aglycone:
Oc1cccc(C[NH+]2CCN(c3ncnc4c3N=C[N]4)CC2)c1

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 5 FractionCSP3: 0.48
AlogP: -1.95 Num_rotatable_bonds: 5
MolWt: 443.48 Num_heavy_atoms: 32
TPSA: 141.43 NumAromaticRings: 3

Unique Aglycone
AD39015
Formula: C16H18ON6

Smiles:
Oc1cccc(C[NH+]2CCN(c3ncnc4c3N=C[N]4)CC2)c1
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.31
AlogP: 0.0 Num_rotatable_bonds: 3
MolWt: 310.36 Num_heavy_atoms: 23
TPSA: 80.15 NumAromaticRings: 2

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O