Glycoside
...
GD130422

Name:
None

Formula:
C38H37O15N4

Smiles:
NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)(CC6=NC=NC6)C(O)C5O)c(OC(O)c5cccc(O)c5)c4O)O3)cc2)=N1

Aglycone:
CC1=NC=NC1.NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(O)c(OC(O)c5cccc(O)c5)c4O)O3)cc2)=N1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 11 FractionCSP3: 0.29
AlogP: 0.91 Num_rotatable_bonds: 13
MolWt: 789.73 Num_heavy_atoms: 57
TPSA: 308.39 NumAromaticRings: 3

Unique Aglycone
AD44952
Formula: C4H6N2

Smiles:
CC1=NC=NC1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.5
AlogP: 0.49 Num_rotatable_bonds: 0
MolWt: 82.11 Num_heavy_atoms: 6
TPSA: 24.72 NumAromaticRings: 0
AD52854
Formula: C28H25O9N2

Smiles:
NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(O)c(OC(O)c5cccc(O)c5)c4O)O3)cc2)=N1
HBA: 11 RingCount: 5
HBD: 8 FractionCSP3: 0.14
AlogP: 3.1 Num_rotatable_bonds: 8
MolWt: 533.51 Num_heavy_atoms: 39
TPSA: 187.45 NumAromaticRings: 3

Sugarmoiety
SD04330

O=C(O)C1OC(O)C(O)C(O)C1(O)O