Glycoside
...
GD016880

Name:
None

Formula:
C30H35O22N12P3

Smiles:
O=P(O)(O)OC[C@@H]1OC(n2cnc3c(O)ncnc32)[C@H](OP(=O)(O)OC[C@@H]2OC(n3cnc4c(O)ncnc43)[C@H](OP(=O)(O)OC[C@@H]3OC(n4cnc5c(O)ncnc54)[C@H](O)[C@H]3O)[C@H]2O)[C@H]1O

Aglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.Oc1ncnc2c1N=C[N]2.Oc1ncnc2c1N=C[N]2.Oc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)O1.OCC1OC(O)C(O)C1O.OCC1OC(O)OC1O

Other Identifiers

Properties
HBA: 34 RingCount: 9
HBD: 11 FractionCSP3: 0.5
AlogP: -3.13 Num_rotatable_bonds: 16
MolWt: 1008.59 Num_heavy_atoms: 67
TPSA: 478.38 NumAromaticRings: 6

Unique Aglycone
AD00079
Formula: CH5O4P

Smiles:
COP(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.27 Num_rotatable_bonds: 1
MolWt: 112.02 Num_heavy_atoms: 6
TPSA: 66.76 NumAromaticRings: 0
AD00956
Formula: C5H3ON4

Smiles:
Oc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 0.09 Num_rotatable_bonds: 0
MolWt: 135.11 Num_heavy_atoms: 10
TPSA: 72.47 NumAromaticRings: 1

Sugarmoiety
SD01575

OC1OC(O)C(O)O1.OCC1OC(O)C(O)C1O.OCC1OC(O)OC1O