Glycoside
...
GD123013

Name:
None

Formula:
C39H39O16N4

Smiles:
NC1=C[CH+]C(C(O)C(CO)Oc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)(CC6=NC=NC6)C(O)C5O)c(OC(O)c5cccc(O)c5)c4O)O3)cc2)=N1

Aglycone:
CC1=NC=NC1.NC1=C[CH+]C(C(O)C(CO)Oc2ccc(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: 20 RingCount: 7
HBD: 12 FractionCSP3: 0.31
AlogP: 0.27 Num_rotatable_bonds: 14
MolWt: 819.75 Num_heavy_atoms: 59
TPSA: 328.62 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
AD49620
Formula: C29H27O10N2

Smiles:
NC1=C[CH+]C(C(O)C(CO)Oc2ccc(C3C=C(O)c4c(cc(O)c(OC(O)c5cccc(O)c5)c4O)O3)cc2)=N1
HBA: 12 RingCount: 5
HBD: 9 FractionCSP3: 0.17
AlogP: 2.47 Num_rotatable_bonds: 9
MolWt: 563.54 Num_heavy_atoms: 41
TPSA: 207.68 NumAromaticRings: 3

Sugarmoiety
SD04330

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