Glycoside
...
GD012401

Name:
None

Formula:
C44H58O25N20P4

Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCP(=O)(O)O[C@@H]2[C@H](O)[C@H](COCP(=O)(O)O[C@@H]3[C@H](O)[C@H](COCP(=O)(O)O[C@@H]4[C@H](O)[C@H](COCP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O

Aglycone:
COCP(=O)(O)O.COCP(=O)(O)O.COCP(=O)(O)O.COCP(=O)(O)O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 45 RingCount: 12
HBD: 18 FractionCSP3: 0.55
AlogP: -4.15 Num_rotatable_bonds: 26
MolWt: 1390.96 Num_heavy_atoms: 93
TPSA: 650.59 NumAromaticRings: 8

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD01581
Formula: C2H7O4P

Smiles:
COCP(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.23 Num_rotatable_bonds: 2
MolWt: 126.05 Num_heavy_atoms: 7
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00386

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O