Glycoside
...
GD144135

Name:
None

Formula:
C32H33O14N4

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(OCO)c4O)O3)cc2)=N1

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

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 10 FractionCSP3: 0.34
AlogP: -0.53 Num_rotatable_bonds: 12
MolWt: 697.63 Num_heavy_atoms: 50
TPSA: 288.16 NumAromaticRings: 2

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
AD57937
Formula: C22H21O8N2

Smiles:
NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(O)c(OCO)c4O)O3)cc2)=N1
HBA: 10 RingCount: 4
HBD: 7 FractionCSP3: 0.18
AlogP: 1.66 Num_rotatable_bonds: 7
MolWt: 441.42 Num_heavy_atoms: 32
TPSA: 167.22 NumAromaticRings: 2

Sugarmoiety
SD04330

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