Glycoside
...
GD133873

Name:
None

Formula:
C39H36O10N7

Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(O)c3OC3OC(CO)C(O)C(O)C3OCCc3cc[nH]c(=[NH2+])c3)C(=O)c3ccccc3C4=O)C2=N1

Aglycone:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)C2=N1.[NH2+]=c1cc(CCO)cc[nH]1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.26
AlogP: -0.29 Num_rotatable_bonds: 10
MolWt: 762.76 Num_heavy_atoms: 56
TPSA: 268.53 NumAromaticRings: 4

Unique Aglycone
AD53791
Formula: C7H11ON2

Smiles:
[NH2+]=c1cc(CCO)cc[nH]1
HBA: 3 RingCount: 1
HBD: 4 FractionCSP3: 0.29
AlogP: -1.79 Num_rotatable_bonds: 2
MolWt: 139.18 Num_heavy_atoms: 10
TPSA: 61.61 NumAromaticRings: 1
AD54161
Formula: C26H17O5N5

Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)C2=N1
HBA: 10 RingCount: 6
HBD: 4 FractionCSP3: 0.08
AlogP: 2.99 Num_rotatable_bonds: 3
MolWt: 479.45 Num_heavy_atoms: 36
TPSA: 159.0 NumAromaticRings: 3

Sugarmoiety
SD00003

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