Glycoside
...
GD146667

Name:
None

Formula:
C43H45O15N4

Smiles:
NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)(C6(C7=NC=NC7)CCCCC6)C(O)C5O)c(OC(O)c5cccc(O)c5)c4O)O3)cc2)=N1

Aglycone:
C1=NCC(C2CCCCC2)=N1.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: 8
HBD: 11 FractionCSP3: 0.37
AlogP: 2.47 Num_rotatable_bonds: 13
MolWt: 857.85 Num_heavy_atoms: 62
TPSA: 308.39 NumAromaticRings: 3

Unique Aglycone
AD47831
Formula: C9H14N2

Smiles:
C1=NCC(C2CCCCC2)=N1
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.78
AlogP: 2.05 Num_rotatable_bonds: 1
MolWt: 150.22 Num_heavy_atoms: 11
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