Glycoside
...
GD123137

Name:
None

Formula:
C32H33O12N4

Smiles:
COc1c(OC2OC(C(=O)O)C(O)(CC3=NC=NC3)C(O)C2O)cc2c(c1O)C(O)=CC(c1ccc(OCCC3=NC(N)=C[CH+]3)cc1)O2

Aglycone:
CC1=NC=NC1.COc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCCC3=NC(N)=C[CH+]3)cc1)O2

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 8 FractionCSP3: 0.34
AlogP: 1.18 Num_rotatable_bonds: 11
MolWt: 665.63 Num_heavy_atoms: 48
TPSA: 247.7 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
AD49671
Formula: C22H21O6N2

Smiles:
COc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCCC3=NC(N)=C[CH+]3)cc1)O2
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.18
AlogP: 3.37 Num_rotatable_bonds: 6
MolWt: 409.42 Num_heavy_atoms: 30
TPSA: 126.76 NumAromaticRings: 2

Sugarmoiety
SD04330

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