Glycoside
...
GD132867

Name:
None

Formula:
C43H42O12N7

Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=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(OCC(O)CC=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: 19 RingCount: 8
HBD: 9 FractionCSP3: 0.3
AlogP: -0.66 Num_rotatable_bonds: 15
MolWt: 848.85 Num_heavy_atoms: 62
TPSA: 294.83 NumAromaticRings: 4

Unique Aglycone
AD45532
Formula: C30H23O7N5

Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2=N1
HBA: 12 RingCount: 6
HBD: 4 FractionCSP3: 0.17
AlogP: 2.61 Num_rotatable_bonds: 8
MolWt: 565.54 Num_heavy_atoms: 42
TPSA: 185.3 NumAromaticRings: 3
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

Sugarmoiety
SD00003

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