Glycoside
...
GD117019

Name:
Microcystbiopterin C

Formula:
C16H23O7N5

Smiles:
COC1C(O)C(C)OC(OC(C)C(O)c2cnc3[nH]c(=N)nc(O)c3n2)C1O

Aglycone:
CC(O)C(O)c1cnc2[nH]c(=N)nc(O)c2n1

Sugarmoiety:
COC1C(O)C(C)OC(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.62
AlogP: -1.54 Num_rotatable_bonds: 5
MolWt: 397.39 Num_heavy_atoms: 28
TPSA: 186.92 NumAromaticRings: 2

Unique Aglycone
AD46585
Formula: C9H11O3N5

Smiles:
CC(O)C(O)c1cnc2[nH]c(=N)nc(O)c2n1
HBA: 8 RingCount: 2
HBD: 5 FractionCSP3: 0.33
AlogP: -1.05 Num_rotatable_bonds: 2
MolWt: 237.22 Num_heavy_atoms: 17
TPSA: 139.0 NumAromaticRings: 2

Sugarmoiety
SD00011

COC1C(O)C(C)OC(O)C1O