Glycoside
...
GD136039

Name:
None

Formula:
C44H47O13N4

Smiles:
CCc1cc(O)cc(C2(Oc3c(OC4OC(C(=O)O)C(O)(CC5=NC=NC5)C(O)C4O)cc4c(c3O)C(O)=CC(c3ccc(OCCC5=NC(N)=C[CH+]5)cc3)O4)CCCC2)c1

Aglycone:
CC1=NC=NC1.CCc1cc(O)cc(C2(Oc3c(O)cc4c(c3O)C(O)=CC(c3ccc(OCCC5=NC(N)=C[CH+]5)cc3)O4)CCCC2)c1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.39
AlogP: 4.28 Num_rotatable_bonds: 14
MolWt: 839.87 Num_heavy_atoms: 61
TPSA: 267.93 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
AD54994
Formula: C34H35O7N2

Smiles:
CCc1cc(O)cc(C2(Oc3c(O)cc4c(c3O)C(O)=CC(c3ccc(OCCC5=NC(N)=C[CH+]5)cc3)O4)CCCC2)c1
HBA: 9 RingCount: 6
HBD: 6 FractionCSP3: 0.29
AlogP: 6.47 Num_rotatable_bonds: 9
MolWt: 583.66 Num_heavy_atoms: 43
TPSA: 146.99 NumAromaticRings: 3

Sugarmoiety
SD04330

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